5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H15N5O — CID 114455377

IUPAC5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNC(C)C)nc2n1
InChIInChI=1S/C10H15N5O/c1-6(2)11-5-8-13-10-12-7(3)4-9(16)15(10)14-8/h4,6,11H,5H2,1-3H3,(H,12,13,14)
InChIKeyHCENBUPCMPRYNP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.22
Rot. Bonds3

About 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455377) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455377
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNC(C)C)nc2n1
InChIInChI=1S/C10H15N5O/c1-6(2)11-5-8-13-10-12-7(3)4-9(16)15(10)14-8/h4,6,11H,5H2,1-3H3,(H,12,13,14)
InChIKeyHCENBUPCMPRYNP-UHFFFAOYSA-N
XLogP0.22
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455377) is 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CNC(C)C)nc2n1.
What is the InChIKey of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HCENBUPCMPRYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)11-5-8-13-10-12-7(3)4-9(16)15(10)14-8/h4,6,11H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 221.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).