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

C13H17N7 — CID 86808876

IUPACN-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2cnn(C)c2)n2ncnc2n1
InChIInChI=1S/C13H17N7/c1-3-4-11-5-12(20-13(18-11)15-9-17-20)14-6-10-7-16-19(2)8-10/h5,7-9,14H,3-4,6H2,1-2H3
InChIKeyPONJTROAFNYYBU-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.42
Rot. Bonds5

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

N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86808876) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID86808876
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCc2cnn(C)c2)n2ncnc2n1
InChIInChI=1S/C13H17N7/c1-3-4-11-5-12(20-13(18-11)15-9-17-20)14-6-10-7-16-19(2)8-10/h5,7-9,14H,3-4,6H2,1-2H3
InChIKeyPONJTROAFNYYBU-UHFFFAOYSA-N
XLogP1.42
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 86808876) is N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCc2cnn(C)c2)n2ncnc2n1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PONJTROAFNYYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-3-4-11-5-12(20-13(18-11)15-9-17-20)14-6-10-7-16-19(2)8-10/h5,7-9,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 271.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86808876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).