N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide

C17H19N5O — CID 71701996

IUPACN-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1)C1CC1
InChIInChI=1S/C17H19N5O/c23-16(11-8-9-11)20-17-19-15(21-22-17)7-3-4-12-10-18-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,18H,3-4,7-9H2,(H2,19,20,21,22,23)
InChIKeyBVTRNQHNIZEJKC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.81
Rot. Bonds6

About N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide

N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide (PubChem CID 71701996) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
PubChem CID71701996
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1)C1CC1
InChIInChI=1S/C17H19N5O/c23-16(11-8-9-11)20-17-19-15(21-22-17)7-3-4-12-10-18-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,18H,3-4,7-9H2,(H2,19,20,21,22,23)
InChIKeyBVTRNQHNIZEJKC-UHFFFAOYSA-N
XLogP2.81
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide 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

N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 71701878
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228240
N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584532
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 91638947
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide (CID 71701996) is N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1)C1CC1.
What is the InChIKey of N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The InChIKey is BVTRNQHNIZEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-16(11-8-9-11)20-17-19-15(21-22-17)7-3-4-12-10-18-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,18H,3-4,7-9H2,(H2,19,20,21,22,23).
What are the key properties of N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71701996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).