7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C8H7N7O — CID 66283708

IUPAC7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNc1cnn(-c2cc3n[nH]c(=O)n3cn2)c1
InChIInChI=1S/C8H7N7O/c9-5-2-11-15(3-5)6-1-7-12-13-8(16)14(7)4-10-6/h1-4H,9H2,(H,13,16)
InChIKeyLQKFLKRAFNDYQV-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.81
Rot. Bonds1

About 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283708) has the molecular formula C8H7N7O and a molecular weight of 217.19 g/mol. Its IUPAC name is 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283708
Molecular FormulaC8H7N7O
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNc1cnn(-c2cc3n[nH]c(=O)n3cn2)c1
InChIInChI=1S/C8H7N7O/c9-5-2-11-15(3-5)6-1-7-12-13-8(16)14(7)4-10-6/h1-4H,9H2,(H,13,16)
InChIKeyLQKFLKRAFNDYQV-UHFFFAOYSA-N
XLogP-0.81
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283708) is 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Nc1cnn(-c2cc3n[nH]c(=O)n3cn2)c1.
What is the InChIKey of 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is LQKFLKRAFNDYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O/c9-5-2-11-15(3-5)6-1-7-12-13-8(16)14(7)4-10-6/h1-4H,9H2,(H,13,16).
What are the key properties of 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 217.19 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).