2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline

C13H10N6 — CID 175889963

IUPAC2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCn1cncc1-c1nc2c3ccccc3ncn2n1
InChIInChI=1S/C13H10N6/c1-18-7-14-6-11(18)12-16-13-9-4-2-3-5-10(9)15-8-19(13)17-12/h2-8H,1H3
InChIKeyLVDQAUHRDDRYQC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.68
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889963) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889963
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCn1cncc1-c1nc2c3ccccc3ncn2n1
InChIInChI=1S/C13H10N6/c1-18-7-14-6-11(18)12-16-13-9-4-2-3-5-10(9)15-8-19(13)17-12/h2-8H,1H3
InChIKeyLVDQAUHRDDRYQC-UHFFFAOYSA-N
XLogP1.68
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889963) is 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline is Cn1cncc1-c1nc2c3ccccc3ncn2n1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is LVDQAUHRDDRYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-18-7-14-6-11(18)12-16-13-9-4-2-3-5-10(9)15-8-19(13)17-12/h2-8H,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 250.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).