N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C15H12N6 — CID 156536634

IUPACN-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccncc1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C15H12N6/c1-20(11-6-8-16-9-7-11)14-12-4-2-3-5-13(12)21-10-17-19-15(21)18-14/h2-10H,1H3
InChIKeyXUOGEUWKPMQGEX-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536634) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536634
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC NameN-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1ccncc1)c1nc2nncn2c2ccccc12
InChIInChI=1S/C15H12N6/c1-20(11-6-8-16-9-7-11)14-12-4-2-3-5-13(12)21-10-17-19-15(21)18-14/h2-10H,1H3
InChIKeyXUOGEUWKPMQGEX-UHFFFAOYSA-N
XLogP2.44
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536634) is N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1ccncc1)c1nc2nncn2c2ccccc12.
What is the InChIKey of N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is XUOGEUWKPMQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-20(11-6-8-16-9-7-11)14-12-4-2-3-5-13(12)21-10-17-19-15(21)18-14/h2-10H,1H3.
What are the key properties of N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 276.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).