4-(imidazol-1-ylmethyl)-2-methyltriazole

C7H9N5 — CID 130588259

IUPAC4-(imidazol-1-ylmethyl)-2-methyltriazole
SMILESCn1ncc(Cn2ccnc2)n1
InChIInChI=1S/C7H9N5/c1-11-9-4-7(10-11)5-12-3-2-8-6-12/h2-4,6H,5H2,1H3
InChIKeyKCKHTPGBORUGQD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.06
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)-2-methyltriazole

4-(imidazol-1-ylmethyl)-2-methyltriazole (PubChem CID 130588259) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2-methyltriazole
PubChem CID130588259
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name4-(imidazol-1-ylmethyl)-2-methyltriazole
SMILESCn1ncc(Cn2ccnc2)n1
InChIInChI=1S/C7H9N5/c1-11-9-4-7(10-11)5-12-3-2-8-6-12/h2-4,6H,5H2,1H3
InChIKeyKCKHTPGBORUGQD-UHFFFAOYSA-N
XLogP0.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-(18F)fluoroethyl)-4-[(2-nitroimidazol-1-yl)methyl]triazole
CID 25183525
1-(2-Fluoroethyl)-4-[(2-nitroimidazol-1-yl)methyl]triazole
CID 59511060
1-(2-Fluoroethyl)-4-[(5-methyl-2-nitroimidazol-1-yl)methyl]triazole
CID 71453181
1-(2-(18F)fluoroethyl)-4-[(5-methyl-2-nitroimidazol-1-yl)methyl]triazole
CID 71456706
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 91835881
N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 126796372
4-[2-(4,5-Dimethylimidazol-1-yl)ethyl]-1-methyltriazole
CID 132320332
1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanamine
CID 62053788
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192183
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 66192538

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2-methyltriazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2-methyltriazole (CID 130588259) is 4-(imidazol-1-ylmethyl)-2-methyltriazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2-methyltriazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2-methyltriazole is Cn1ncc(Cn2ccnc2)n1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2-methyltriazole?
The InChIKey is KCKHTPGBORUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-11-9-4-7(10-11)5-12-3-2-8-6-12/h2-4,6H,5H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-2-methyltriazole?
4-(imidazol-1-ylmethyl)-2-methyltriazole has a molecular weight of 163.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2-methyltriazole is sourced from PubChem (CID 130588259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).