5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H21N7 — CID 86772190

IUPAC5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2c(C)nn(C)c2C)n2ncnc2n1
InChIInChI=1S/C15H21N7/c1-5-6-12-7-14(22-15(19-12)17-9-18-22)16-8-13-10(2)20-21(4)11(13)3/h7,9,16H,5-6,8H2,1-4H3
InChIKeyALPCPWXIBNBFAV-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.04
Rot. Bonds5

About 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86772190) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID86772190
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2c(C)nn(C)c2C)n2ncnc2n1
InChIInChI=1S/C15H21N7/c1-5-6-12-7-14(22-15(19-12)17-9-18-22)16-8-13-10(2)20-21(4)11(13)3/h7,9,16H,5-6,8H2,1-4H3
InChIKeyALPCPWXIBNBFAV-UHFFFAOYSA-N
XLogP2.04
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 86772190) is 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCc2c(C)nn(C)c2C)n2ncnc2n1.
What is the InChIKey of 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ALPCPWXIBNBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-5-6-12-7-14(22-15(19-12)17-9-18-22)16-8-13-10(2)20-21(4)11(13)3/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86772190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).