7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C15H16N8 — CID 170452769

IUPAC7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCCNc1nc2nc(-c3cccnc3)nn2c(N)c1C#N
InChIInChI=1S/C15H16N8/c1-2-3-7-19-14-11(8-16)12(17)23-15(21-14)20-13(22-23)10-5-4-6-18-9-10/h4-6,9H,2-3,7,17H2,1H3,(H,19,20,21,22)
InChIKeyQLKRRHBCLIOAOU-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.85
Rot. Bonds5

About 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 170452769) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID170452769
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCCNc1nc2nc(-c3cccnc3)nn2c(N)c1C#N
InChIInChI=1S/C15H16N8/c1-2-3-7-19-14-11(8-16)12(17)23-15(21-14)20-13(22-23)10-5-4-6-18-9-10/h4-6,9H,2-3,7,17H2,1H3,(H,19,20,21,22)
InChIKeyQLKRRHBCLIOAOU-UHFFFAOYSA-N
XLogP1.85
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452775
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151635
3-(butylamino)-5-phenyl-1,2-thiazole-4-carbonitrile
CID 86278738
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53003469
2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 102449546
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
4-(butylsulfanylmethylsulfanyl)-6-(1-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135387944
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 170452769) is 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is CCCCNc1nc2nc(-c3cccnc3)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is QLKRRHBCLIOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-2-3-7-19-14-11(8-16)12(17)23-15(21-14)20-13(22-23)10-5-4-6-18-9-10/h4-6,9H,2-3,7,17H2,1H3,(H,19,20,21,22).
What are the key properties of 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 308.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 170452769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).