1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea

C12H15N7O2 — CID 2739071

IUPAC1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
SMILESCC(C)NC(=O)NNC(=O)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C12H15N7O2/c1-7(2)14-12(21)19-18-11(20)10-15-9(16-17-10)8-5-3-4-6-13-8/h3-7H,1-2H3,(H,18,20)(H2,14,19,21)(H,15,16,17)
InChIKeyFPMBWWIXRORQHE-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.22
Rot. Bonds3

About 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea

1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea (PubChem CID 2739071) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
PubChem CID2739071
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
SMILESCC(C)NC(=O)NNC(=O)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C12H15N7O2/c1-7(2)14-12(21)19-18-11(20)10-15-9(16-17-10)8-5-3-4-6-13-8/h3-7H,1-2H3,(H,18,20)(H2,14,19,21)(H,15,16,17)
InChIKeyFPMBWWIXRORQHE-UHFFFAOYSA-N
XLogP0.22
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea 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

1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 82376283
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
CID 66706223
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81396785
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide
CID 166440950
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea?
The IUPAC name of 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea (CID 2739071) is 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea?
The canonical SMILES for 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea is CC(C)NC(=O)NNC(=O)c1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea?
The InChIKey is FPMBWWIXRORQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-7(2)14-12(21)19-18-11(20)10-15-9(16-17-10)8-5-3-4-6-13-8/h3-7H,1-2H3,(H,18,20)(H2,14,19,21)(H,15,16,17).
What are the key properties of 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea?
1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea has a molecular weight of 289.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea is sourced from PubChem (CID 2739071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).