2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine

C21H17N7 — CID 24508299

IUPAC2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C21H17N7/c1-14(21-27-26-18-10-4-5-12-28(18)21)23-20-16-8-2-3-9-17(16)24-19(25-20)15-7-6-11-22-13-15/h2-14H,1H3,(H,23,24,25)
InChIKeyMKQFGIRXPMSZEY-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.91
Rot. Bonds4

About 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine

2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 24508299) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
PubChem CID24508299
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C21H17N7/c1-14(21-27-26-18-10-4-5-12-28(18)21)23-20-16-8-2-3-9-17(16)24-19(25-20)15-7-6-11-22-13-15/h2-14H,1H3,(H,23,24,25)
InChIKeyMKQFGIRXPMSZEY-UHFFFAOYSA-N
XLogP3.91
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508292
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133365280
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine (CID 24508299) is 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine is CC(Nc1nc(-c2cccnc2)nc2ccccc12)c1nnc2ccccn12.
What is the InChIKey of 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is MKQFGIRXPMSZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-14(21-27-26-18-10-4-5-12-28(18)21)23-20-16-8-2-3-9-17(16)24-19(25-20)15-7-6-11-22-13-15/h2-14H,1H3,(H,23,24,25).
What are the key properties of 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 24508299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).