1H-imidazo[5,1-c][1,2,4]triazole

C4H4N4 — CID 58775815

IUPAC1H-imidazo[5,1-c][1,2,4]triazole
SMILESc1ncn2cn[nH]c12
InChIInChI=1S/C4H4N4/c1-4-7-6-3-8(4)2-5-1/h1-3,7H
InChIKeyGKLBUGZBRSWXRA-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.06
Rot. Bonds

About 1H-imidazo[5,1-c][1,2,4]triazole

1H-imidazo[5,1-c][1,2,4]triazole (PubChem CID 58775815) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is 1H-imidazo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name1H-imidazo[5,1-c][1,2,4]triazole
PubChem CID58775815
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name1H-imidazo[5,1-c][1,2,4]triazole
SMILESc1ncn2cn[nH]c12
InChIInChI=1S/C4H4N4/c1-4-7-6-3-8(4)2-5-1/h1-3,7H
InChIKeyGKLBUGZBRSWXRA-UHFFFAOYSA-N
XLogP0.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[5,1-c][1,2,4]triazole?
The IUPAC name of 1H-imidazo[5,1-c][1,2,4]triazole (CID 58775815) is 1H-imidazo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 1H-imidazo[5,1-c][1,2,4]triazole?
The canonical SMILES for 1H-imidazo[5,1-c][1,2,4]triazole is c1ncn2cn[nH]c12.
What is the InChIKey of 1H-imidazo[5,1-c][1,2,4]triazole?
The InChIKey is GKLBUGZBRSWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c1-4-7-6-3-8(4)2-5-1/h1-3,7H.
What are the key properties of 1H-imidazo[5,1-c][1,2,4]triazole?
1H-imidazo[5,1-c][1,2,4]triazole has a molecular weight of 108.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 58775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).