2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H17N5O — CID 53003379

IUPAC2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(CNc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O/c1-2-6-12-9-14(21)20-15(17-12)18-13(19-20)10-16-11-7-4-3-5-8-11/h3-5,7-9,16H,2,6,10H2,1H3,(H,17,18,19)
InChIKeyOLGLRXZPKMUTNB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.98
Rot. Bonds5

About 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53003379) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53003379
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(CNc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O/c1-2-6-12-9-14(21)20-15(17-12)18-13(19-20)10-16-11-7-4-3-5-8-11/h3-5,7-9,16H,2,6,10H2,1H3,(H,17,18,19)
InChIKeyOLGLRXZPKMUTNB-UHFFFAOYSA-N
XLogP1.98
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53003379) is 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(CNc3ccccc3)nc2n1.
What is the InChIKey of 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OLGLRXZPKMUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-6-12-9-14(21)20-15(17-12)18-13(19-20)10-16-11-7-4-3-5-8-11/h3-5,7-9,16H,2,6,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53003379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).