2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride

C10H12ClN7O2 — CID 174586067

IUPAC2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCOc1cc(N2NC=C(n3ccnn3)C2O)ncn1.Cl
InChIInChI=1S/C10H11N7O2.ClH/c1-19-9-4-8(11-6-12-9)17-10(18)7(5-14-17)16-3-2-13-15-16;/h2-6,10,14,18H,1H3;1H
InChIKeySOLDBQRYZBSMQI-UHFFFAOYSA-N
MW297.71 g/mol
LogP-0.36
Rot. Bonds3

About 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride

2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride (PubChem CID 174586067) has the molecular formula C10H12ClN7O2 and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride
PubChem CID174586067
Molecular FormulaC10H12ClN7O2
Molecular Weight297.71 g/mol
Exact Mass297.07
IUPAC Name2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCOc1cc(N2NC=C(n3ccnn3)C2O)ncn1.Cl
InChIInChI=1S/C10H11N7O2.ClH/c1-19-9-4-8(11-6-12-9)17-10(18)7(5-14-17)16-3-2-13-15-16;/h2-6,10,14,18H,1H3;1H
InChIKeySOLDBQRYZBSMQI-UHFFFAOYSA-N
XLogP-0.36
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride (CID 174586067) is 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride is COc1cc(N2NC=C(n3ccnn3)C2O)ncn1.Cl.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride?
The InChIKey is SOLDBQRYZBSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2.ClH/c1-19-9-4-8(11-6-12-9)17-10(18)7(5-14-17)16-3-2-13-15-16;/h2-6,10,14,18H,1H3;1H.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride?
2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride has a molecular weight of 297.71 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride is sourced from PubChem (CID 174586067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).