7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H16N8O2 — CID 99995548

IUPAC7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C17H16N8O2/c26-15(13-8-19-17-20-10-22-25(17)16(13)27)23-14(12-4-2-1-3-5-12)6-7-24-11-18-9-21-24/h1-5,8-11,14H,6-7H2,(H,23,26)(H,19,20,22)/t14-/m0/s1
InChIKeyUNOUKTCNSBSCLY-AWEZNQCLSA-N
MW364.37 g/mol
LogP0.57
Rot. Bonds6

About 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 99995548) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID99995548
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C17H16N8O2/c26-15(13-8-19-17-20-10-22-25(17)16(13)27)23-14(12-4-2-1-3-5-12)6-7-24-11-18-9-21-24/h1-5,8-11,14H,6-7H2,(H,23,26)(H,19,20,22)/t14-/m0/s1
InChIKeyUNOUKTCNSBSCLY-AWEZNQCLSA-N
XLogP0.57
TPSA122.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 100909973
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041158
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 126445618
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 99995548) is 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UNOUKTCNSBSCLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N8O2/c26-15(13-8-19-17-20-10-22-25(17)16(13)27)23-14(12-4-2-1-3-5-12)6-7-24-11-18-9-21-24/h1-5,8-11,14H,6-7H2,(H,23,26)(H,19,20,22)/t14-/m0/s1.
What are the key properties of 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 99995548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).