5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H11N7O — CID 66282773

IUPAC5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCc2ccn[nH]2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H11N7O/c1-6-13-8(11-5-7-2-3-12-14-7)4-9-15-16-10(18)17(6)9/h2-4,11H,5H2,1H3,(H,12,14)(H,16,18)
InChIKeyPYLJLTCDMLHVKE-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.06
Rot. Bonds3

About 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282773) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282773
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCc2ccn[nH]2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H11N7O/c1-6-13-8(11-5-7-2-3-12-14-7)4-9-15-16-10(18)17(6)9/h2-4,11H,5H2,1H3,(H,12,14)(H,16,18)
InChIKeyPYLJLTCDMLHVKE-UHFFFAOYSA-N
XLogP0.06
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282773) is 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCc2ccn[nH]2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PYLJLTCDMLHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-6-13-8(11-5-7-2-3-12-14-7)4-9-15-16-10(18)17(6)9/h2-4,11H,5H2,1H3,(H,12,14)(H,16,18).
What are the key properties of 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 245.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).