N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C15H14N8 — CID 70787447

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1n[nH]c(CNc2cc(-c3ccccc3)nc3ccnn23)n1
InChIInChI=1S/C15H14N8/c16-15-20-12(21-22-15)9-17-14-8-11(10-4-2-1-3-5-10)19-13-6-7-18-23(13)14/h1-8,17H,9H2,(H3,16,20,21,22)
InChIKeyFQCLDCXTOKKKPN-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.71
Rot. Bonds4

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70787447) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70787447
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1n[nH]c(CNc2cc(-c3ccccc3)nc3ccnn23)n1
InChIInChI=1S/C15H14N8/c16-15-20-12(21-22-15)9-17-14-8-11(10-4-2-1-3-5-10)19-13-6-7-18-23(13)14/h1-8,17H,9H2,(H3,16,20,21,22)
InChIKeyFQCLDCXTOKKKPN-UHFFFAOYSA-N
XLogP1.71
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70787447) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1n[nH]c(CNc2cc(-c3ccccc3)nc3ccnn23)n1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FQCLDCXTOKKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c16-15-20-12(21-22-15)9-17-14-8-11(10-4-2-1-3-5-10)19-13-6-7-18-23(13)14/h1-8,17H,9H2,(H3,16,20,21,22).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 306.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70787447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).