1-[(1-methylimidazol-4-yl)methyl]tetrazole

C6H8N6 — CID 19771037

IUPAC1-[(1-methylimidazol-4-yl)methyl]tetrazole
SMILESCn1cnc(Cn2cnnn2)c1
InChIInChI=1S/C6H8N6/c1-11-2-6(7-4-11)3-12-5-8-9-10-12/h2,4-5H,3H2,1H3
InChIKeyNPFLSQCQFQTHHU-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.55
Rot. Bonds2

About 1-[(1-methylimidazol-4-yl)methyl]tetrazole

1-[(1-methylimidazol-4-yl)methyl]tetrazole (PubChem CID 19771037) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-[(1-methylimidazol-4-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-[(1-methylimidazol-4-yl)methyl]tetrazole
PubChem CID19771037
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-[(1-methylimidazol-4-yl)methyl]tetrazole
SMILESCn1cnc(Cn2cnnn2)c1
InChIInChI=1S/C6H8N6/c1-11-2-6(7-4-11)3-12-5-8-9-10-12/h2,4-5H,3H2,1H3
InChIKeyNPFLSQCQFQTHHU-UHFFFAOYSA-N
XLogP-0.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,6-Bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
CID 86101896
5-(aminomethyl)-N,N,1-trimethyl-1H-imidazol-2-amine
CID 24696807
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
5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine
CID 57358786
1,3-Bis[(4-methyl-5-imidazol-1-yl)ethylideneamino]propane
CID 129731389
1-(1h-Imidazol-1-yl)-1-(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997415
1,1-Bis(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997430
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-4-yl)methyl]tetrazole?
The IUPAC name of 1-[(1-methylimidazol-4-yl)methyl]tetrazole (CID 19771037) is 1-[(1-methylimidazol-4-yl)methyl]tetrazole.
What is the SMILES notation for 1-[(1-methylimidazol-4-yl)methyl]tetrazole?
The canonical SMILES for 1-[(1-methylimidazol-4-yl)methyl]tetrazole is Cn1cnc(Cn2cnnn2)c1.
What is the InChIKey of 1-[(1-methylimidazol-4-yl)methyl]tetrazole?
The InChIKey is NPFLSQCQFQTHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-11-2-6(7-4-11)3-12-5-8-9-10-12/h2,4-5H,3H2,1H3.
What are the key properties of 1-[(1-methylimidazol-4-yl)methyl]tetrazole?
1-[(1-methylimidazol-4-yl)methyl]tetrazole has a molecular weight of 164.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-4-yl)methyl]tetrazole is sourced from PubChem (CID 19771037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).