2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride

C12H12ClN7O — CID 68751782

IUPAC2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(C2CC2)ncn1
InChIInChI=1S/C12H11N7O.ClH/c20-12-10(18-4-3-15-17-18)6-16-19(12)11-5-9(8-1-2-8)13-7-14-11;/h3-8,16H,1-2H2;1H
InChIKeySNFNBCNKNBMJLP-UHFFFAOYSA-N
MW305.73 g/mol
LogP0.84
Rot. Bonds3

About 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride

2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride (PubChem CID 68751782) has the molecular formula C12H12ClN7O and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
PubChem CID68751782
Molecular FormulaC12H12ClN7O
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(C2CC2)ncn1
InChIInChI=1S/C12H11N7O.ClH/c20-12-10(18-4-3-15-17-18)6-16-19(12)11-5-9(8-1-2-8)13-7-14-11;/h3-8,16H,1-2H2;1H
InChIKeySNFNBCNKNBMJLP-UHFFFAOYSA-N
XLogP0.84
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride (CID 68751782) is 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride is Cl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(C2CC2)ncn1.
What is the InChIKey of 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The InChIKey is SNFNBCNKNBMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O.ClH/c20-12-10(18-4-3-15-17-18)6-16-19(12)11-5-9(8-1-2-8)13-7-14-11;/h3-8,16H,1-2H2;1H.
What are the key properties of 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 68751782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).