N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H15N7O — CID 51392266

IUPACN-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccc([C@H](C)NC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C13H15N7O/c1-3-19-8-5-10(17-19)9(2)15-12(21)11-16-13-14-6-4-7-20(13)18-11/h4-9H,3H2,1-2H3,(H,15,21)/t9-/m0/s1
InChIKeyXAAKWDHFKZGELR-VIFPVBQESA-N
MW285.31 g/mol
LogP0.83
Rot. Bonds4

About N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51392266) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID51392266
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccc([C@H](C)NC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C13H15N7O/c1-3-19-8-5-10(17-19)9(2)15-12(21)11-16-13-14-6-4-7-20(13)18-11/h4-9H,3H2,1-2H3,(H,15,21)/t9-/m0/s1
InChIKeyXAAKWDHFKZGELR-VIFPVBQESA-N
XLogP0.83
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51851731
N-[1-(2-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583682
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
N-[1-(4-tert-butylphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824657
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 51392266) is N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ccc([C@H](C)NC(=O)c2nc3ncccn3n2)n1.
What is the InChIKey of N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XAAKWDHFKZGELR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N7O/c1-3-19-8-5-10(17-19)9(2)15-12(21)11-16-13-14-6-4-7-20(13)18-11/h4-9H,3H2,1-2H3,(H,15,21)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51392266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).