4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole

C9H10N4 — CID 146531913

IUPAC4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2c(n3ncnc13)=CCCC=2
InChIInChI=1S/C9H10N4/c1-12-7-4-2-3-5-8(7)13-9(12)10-6-11-13/h4-6H,2-3H2,1H3
InChIKeyYFHFXGJEWRFCLS-UHFFFAOYSA-N
MW174.21 g/mol
LogP-0.58
Rot. Bonds

About 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole

4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 146531913) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID146531913
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCn1c2c(n3ncnc13)=CCCC=2
InChIInChI=1S/C9H10N4/c1-12-7-4-2-3-5-8(7)13-9(12)10-6-11-13/h4-6H,2-3H2,1H3
InChIKeyYFHFXGJEWRFCLS-UHFFFAOYSA-N
XLogP-0.58
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole (CID 146531913) is 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole is Cn1c2c(n3ncnc13)=CCCC=2.
What is the InChIKey of 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is YFHFXGJEWRFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-12-7-4-2-3-5-8(7)13-9(12)10-6-11-13/h4-6H,2-3H2,1H3.
What are the key properties of 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole?
4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 174.21 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 146531913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).