[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid

C16H15N5O2 — CID 66706223

IUPAC[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H15N5O2/c22-16(23)18-13(10-11-6-2-1-3-7-11)15-19-14(20-21-15)12-8-4-5-9-17-12/h1-9,13,18H,10H2,(H,22,23)(H,19,20,21)
InChIKeyCRASWSBKBISLRI-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.42
Rot. Bonds5

About [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid

[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid (PubChem CID 66706223) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
PubChem CID66706223
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C16H15N5O2/c22-16(23)18-13(10-11-6-2-1-3-7-11)15-19-14(20-21-15)12-8-4-5-9-17-12/h1-9,13,18H,10H2,(H,22,23)(H,19,20,21)
InChIKeyCRASWSBKBISLRI-UHFFFAOYSA-N
XLogP2.42
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid 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

[(1S)-1-(5-bromo-1H-imidazol-2-yl)-2-phenylethyl]carbamic acid
CID 142696255
tert-butyl N-[(2R)-1-[(2Z)-2-[amino(pyridin-2-yl)methylidene]hydrazinyl]-1-oxo-4-phenylbutan-2-yl]carbamate;tert-butyl N-[(1R)-3-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 172942369
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
[1-(3-chloro-6-oxo-1H-pyridazin-5-yl)-2-phenylethyl]carbamic acid
CID 123666697
1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 82376283
N-[1-(1H-imidazol-2-yl)-2-phenylethyl]-2,2-diphenylacetamide
CID 10452448
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
CID 2739071
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204343
[5-(ethanethioylamino)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)pentyl]carbamic acid
CID 90705805
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
2,2,3,3-tetrafluoro-N-[(1R)-2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 154870694

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid?
The IUPAC name of [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid (CID 66706223) is [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid is O=C(O)NC(Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid?
The InChIKey is CRASWSBKBISLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(23)18-13(10-11-6-2-1-3-7-11)15-19-14(20-21-15)12-8-4-5-9-17-12/h1-9,13,18H,10H2,(H,22,23)(H,19,20,21).
What are the key properties of [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid?
[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid has a molecular weight of 309.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 66706223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).