1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C36H53N23S2 — CID 158447211

IUPAC1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1cccnc1.Cc1ccsn1.Cc1cnsc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/C6H7N.C5H7N.2C4H6N2.2C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;2H,1H3;1H3
InChIKeyHDNOQVLLUYYMAF-UHFFFAOYSA-N
MW872.12 g/mol
LogP3.60
Rot. Bonds

About 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 158447211) has the molecular formula C36H53N23S2 and a molecular weight of 872.12 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID158447211
Molecular FormulaC36H53N23S2
Molecular Weight872.12 g/mol
Exact Mass871.43
IUPAC Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1cccnc1.Cc1ccsn1.Cc1cnsc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/C6H7N.C5H7N.2C4H6N2.2C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;2H,1H3;1H3
InChIKeyHDNOQVLLUYYMAF-UHFFFAOYSA-N
XLogP3.60
TPSA240.75 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

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N-[3-[1-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-4-yl]-6-[2-(methylamino)ethyl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 71197115
3-(1-ethylsulfanylpyrrolidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143460905
3-methyl-N-[[1-[(Z)-2-(methylideneamino)-2-pyridin-3-ylethenyl]-5-(1H-pyrazol-4-yl)imidazol-2-yl]methyl]-1,2-thiazol-5-amine
CID 143460995
2-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyltetrazole;3-tert-butyl-4-methyl-1,2,4-triazole
CID 157222747
1,4-di(propan-2-yl)imidazole;bis(1,3-di(propan-2-yl)pyrazole);1,3-di(propan-2-yl)pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;1,4-di(propan-2-yl)triazole;tetrakis(2-methylpropane);1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;pyridine
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1-Methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltetrazole;5-methylthiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
CID 157543608
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
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5-Tert-butyl-1,4-dimethylpyrazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole
CID 157640807
1,4-Dimethyl-2,5-di(propan-2-yl)pyrazol-2-ium;1,5-dimethyl-2,3-di(propan-2-yl)pyrazol-2-ium;2,5-dimethyl-1,3-di(propan-2-yl)pyrazol-2-ium;1,4-di(propan-2-yl)imidazol-2-amine;1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole;1,3-di(propan-2-yl)imidazol-1-ium;1,4-di(propan-2-yl)pyrazol-3-amine;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyridin-1-ium;3-methyl-1,4-di(propan-2-yl)imidazol-2-imine;3-methyl-1,4-di(propan-2-yl)imidazol-1-ium;1-methyl-2,4-di(propan-2-yl)pyrazol-1-ium;2-methyl-1,3-di(propan-2-yl)pyrazol-1-ium;1-methyl-2,4-di(propan-2-yl)pyrazol-2-ium-5-amine;1,3,5-trimethyl-2,4-di(propan-2-yl)pyrazol-1-ium
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1-Methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 157769394

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 158447211) is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1cccnc1.Cc1ccsn1.Cc1cnsc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1.
What is the InChIKey of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is HDNOQVLLUYYMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H7N.2C4H6N2.2C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;2H,1H3;1H3.
What are the key properties of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 872.12 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158447211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).