6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H22N6O2 — CID 70709312

IUPAC6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CN(C(=O)c2cnc3nc[nH]n3c2=O)CCN1C(C)C
InChIInChI=1S/C15H22N6O2/c1-4-11-8-19(5-6-20(11)10(2)3)13(22)12-7-16-15-17-9-18-21(15)14(12)23/h7,9-11H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeySASVEBUSKQWRGQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.36
Rot. Bonds3

About 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 70709312) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID70709312
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CN(C(=O)c2cnc3nc[nH]n3c2=O)CCN1C(C)C
InChIInChI=1S/C15H22N6O2/c1-4-11-8-19(5-6-20(11)10(2)3)13(22)12-7-16-15-17-9-18-21(15)14(12)23/h7,9-11H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeySASVEBUSKQWRGQ-UHFFFAOYSA-N
XLogP0.36
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-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

Related Compounds

5-methyl-6-[(4-methyl-1-piperazinyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 56696546
6-[(3S)-3-(dimethylamino)azepane-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70751483
N-methyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 70772271
6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777431
6-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70785889
6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365832
6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365833
2-methyl-6-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98373219
2-methyl-6-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98373220
7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 154873954
7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 167748834

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 70709312) is 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCC1CN(C(=O)c2cnc3nc[nH]n3c2=O)CCN1C(C)C.
What is the InChIKey of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SASVEBUSKQWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-11-8-19(5-6-20(11)10(2)3)13(22)12-7-16-15-17-9-18-21(15)14(12)23/h7,9-11H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.38 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70709312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).