5-imidazol-1-yl-1-methyltriazole

C6H7N5 — CID 130487226

IUPAC5-imidazol-1-yl-1-methyltriazole
SMILESCn1nncc1-n1ccnc1
InChIInChI=1S/C6H7N5/c1-10-6(4-8-9-10)11-3-2-7-5-11/h2-5H,1H3
InChIKeyKYJVKVPFDCZEPP-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.00
Rot. Bonds1

About 5-imidazol-1-yl-1-methyltriazole

5-imidazol-1-yl-1-methyltriazole (PubChem CID 130487226) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-methyltriazole.

Molecular Properties

Compound Name5-imidazol-1-yl-1-methyltriazole
PubChem CID130487226
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name5-imidazol-1-yl-1-methyltriazole
SMILESCn1nncc1-n1ccnc1
InChIInChI=1S/C6H7N5/c1-10-6(4-8-9-10)11-3-2-7-5-11/h2-5H,1H3
InChIKeyKYJVKVPFDCZEPP-UHFFFAOYSA-N
XLogP0.00
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-imidazol-1-yltetrazolo[1,5-a]pyrazine
CID 63811479
2-ethyl-5-imidazol-1-ylpyrazine
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1-(3-methyltriazol-4-yl)piperidin-4-ol
CID 130486844
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine
CID 130486914
6-imidazol-1-yl-5-methylpyridin-3-amine
CID 62475908
1-(2-methylthiophen-3-yl)imidazole
CID 123164453
2-imidazol-1-yl-5-methyl-1,3-thiazole
CID 59693976
4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
CID 69188393
3-imidazol-1-yl-5-methoxy-4-methylpyridazine
CID 22240152
3-imidazol-1-ylpyridine;dihydrochloride
CID 91642740
3-imidazol-1-ylpyridazine
CID 19095571

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-methyltriazole?
The IUPAC name of 5-imidazol-1-yl-1-methyltriazole (CID 130487226) is 5-imidazol-1-yl-1-methyltriazole.
What is the SMILES notation for 5-imidazol-1-yl-1-methyltriazole?
The canonical SMILES for 5-imidazol-1-yl-1-methyltriazole is Cn1nncc1-n1ccnc1.
What is the InChIKey of 5-imidazol-1-yl-1-methyltriazole?
The InChIKey is KYJVKVPFDCZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-10-6(4-8-9-10)11-3-2-7-5-11/h2-5H,1H3.
What are the key properties of 5-imidazol-1-yl-1-methyltriazole?
5-imidazol-1-yl-1-methyltriazole has a molecular weight of 149.16 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-methyltriazole is sourced from PubChem (CID 130487226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).