3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea

C20H28N6O — CID 122561620

IUPAC3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
SMILESCc1nc(C)n(CCCNC(=O)N(C)CCn2c(C)cc3ccccc32)n1
InChIInChI=1S/C20H28N6O/c1-15-14-18-8-5-6-9-19(18)25(15)13-12-24(4)20(27)21-10-7-11-26-17(3)22-16(2)23-26/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,27)
InChIKeyMRIDTAZLDRJGTP-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.89
Rot. Bonds7

About 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea

3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea (PubChem CID 122561620) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
PubChem CID122561620
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
SMILESCc1nc(C)n(CCCNC(=O)N(C)CCn2c(C)cc3ccccc32)n1
InChIInChI=1S/C20H28N6O/c1-15-14-18-8-5-6-9-19(18)25(15)13-12-24(4)20(27)21-10-7-11-26-17(3)22-16(2)23-26/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,27)
InChIKeyMRIDTAZLDRJGTP-UHFFFAOYSA-N
XLogP2.89
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]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

3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
CID 121494289
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
CID 91827368
N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 74236302
(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
CID 126450922
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131943793
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(4-methylphenyl)urea
CID 72891236
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 91793731
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727206
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91793548

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The IUPAC name of 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea (CID 122561620) is 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea.
What is the SMILES notation for 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The canonical SMILES for 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea is Cc1nc(C)n(CCCNC(=O)N(C)CCn2c(C)cc3ccccc32)n1.
What is the InChIKey of 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The InChIKey is MRIDTAZLDRJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-14-18-8-5-6-9-19(18)25(15)13-12-24(4)20(27)21-10-7-11-26-17(3)22-16(2)23-26/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,21,27).
What are the key properties of 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea has a molecular weight of 368.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea is sourced from PubChem (CID 122561620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).