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

C11H15N7 — CID 170452748

IUPAC7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCCNc1nc2nc(C)nn2c(N)c1C#N
InChIInChI=1S/C11H15N7/c1-3-4-5-14-10-8(6-12)9(13)18-11(16-10)15-7(2)17-18/h3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyYUZZSVMKNJZWOC-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.10
Rot. Bonds4

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

7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 170452748) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID170452748
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCCNc1nc2nc(C)nn2c(N)c1C#N
InChIInChI=1S/C11H15N7/c1-3-4-5-14-10-8(6-12)9(13)18-11(16-10)15-7(2)17-18/h3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyYUZZSVMKNJZWOC-UHFFFAOYSA-N
XLogP1.10
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452769
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
5-amino-3-(butylamino)-1,2-oxazole-4-carbonitrile
CID 102795776
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
CID 134914335
5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796194
7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452775
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570630
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570609

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 170452748) is 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is CCCCNc1nc2nc(C)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is YUZZSVMKNJZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-3-4-5-14-10-8(6-12)9(13)18-11(16-10)15-7(2)17-18/h3-5,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 170452748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).