1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C32H46N18S4 — CID 158489833

IUPAC1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1cncs1.Cc1cnsc1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1
InChIInChI=1S/2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4/c1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*2-4H,1H3;6*2-3H,1H3;2H,1H3
InChIKeyHIOFTCIMVVWZTO-UHFFFAOYSA-N
MW811.11 g/mol
LogP5.49
Rot. Bonds

About 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 158489833) has the molecular formula C32H46N18S4 and a molecular weight of 811.11 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID158489833
Molecular FormulaC32H46N18S4
Molecular Weight811.11 g/mol
Exact Mass810.30
IUPAC Name1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1cncs1.Cc1cnsc1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1
InChIInChI=1S/2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4/c1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*2-4H,1H3;6*2-3H,1H3;2H,1H3
InChIKeyHIOFTCIMVVWZTO-UHFFFAOYSA-N
XLogP5.49
TPSA192.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.11
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 158489833) is 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1cncs1.Cc1cnsc1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.
What is the InChIKey of 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is HIOFTCIMVVWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4/c1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*2-4H,1H3;6*2-3H,1H3;2H,1H3.
What are the key properties of 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 811.11 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158489833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).