1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C17H27N5O — CID 128633885

IUPAC1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCC(C)(C)C1=CCCC1
InChIInChI=1S/C17H27N5O/c1-12-19-15-14(9-6-10-22(15)21-12)20-16(23)18-11-17(2,3)13-7-4-5-8-13/h7,14H,4-6,8-11H2,1-3H3,(H2,18,20,23)
InChIKeyYNDXMYMPLCDNCX-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 128633885) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID128633885
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCC(C)(C)C1=CCCC1
InChIInChI=1S/C17H27N5O/c1-12-19-15-14(9-6-10-22(15)21-12)20-16(23)18-11-17(2,3)13-7-4-5-8-13/h7,14H,4-6,8-11H2,1-3H3,(H2,18,20,23)
InChIKeyYNDXMYMPLCDNCX-UHFFFAOYSA-N
XLogP2.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)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-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111930602
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995510
1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[2-(4-nitrophenyl)ethyl]urea
CID 84586054
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111932607
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 96990190
1-(2,4-dimethyl-5-nitrophenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75508661
1-(4-fluoro-2-methylphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 136513308
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773
1-[(4-tert-butylphenyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
CID 111978783
1-(3-cyano-4-methylthiophen-2-yl)-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124724879
N-[2-(cyclohexen-1-yl)-2-methylpropyl]-2-(1-methoxypiperidin-4-yl)acetamide
CID 167816633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 128633885) is 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is Cc1nc2n(n1)CCCC2NC(=O)NCC(C)(C)C1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is YNDXMYMPLCDNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12-19-15-14(9-6-10-22(15)21-12)20-16(23)18-11-17(2,3)13-7-4-5-8-13/h7,14H,4-6,8-11H2,1-3H3,(H2,18,20,23).
What are the key properties of 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 317.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)-2-methylpropyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 128633885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).