N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide

C16H19Cl2N5O — CID 169197114

IUPACN-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide
SMILESCCCc1[nH]c2c(Cl)c(Cl)ccc2c1CNC(=O)C1=NCN(C)N1
InChIInChI=1S/C16H19Cl2N5O/c1-3-4-12-10(7-19-16(24)15-20-8-23(2)22-15)9-5-6-11(17)13(18)14(9)21-12/h5-6,21H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyGNRCZBZPZFKHPJ-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.85
Rot. Bonds5

About N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide

N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide (PubChem CID 169197114) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide
PubChem CID169197114
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC NameN-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide
SMILESCCCc1[nH]c2c(Cl)c(Cl)ccc2c1CNC(=O)C1=NCN(C)N1
InChIInChI=1S/C16H19Cl2N5O/c1-3-4-12-10(7-19-16(24)15-20-8-23(2)22-15)9-5-6-11(17)13(18)14(9)21-12/h5-6,21H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyGNRCZBZPZFKHPJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

US20230391786, Example 5
CID 170426740
US20230391786, Example 216
CID 170427036
US20230391786, Example 106
CID 170427177
US20230391786, Example 217
CID 170427491
US20230391786, Example 163
CID 170427709
US20230391786, Example 116
CID 170795225
US20230391786, Example 129
CID 170795229
US20230391786, Example 133
CID 170795233
US20230391786, Example 159
CID 170795240
N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide
CID 136502605
1-(6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-((2-methoxyethyl)amino)ethan-1-one
CID 169197001
(S)-2-amino-1-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one
CID 169197017

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide (CID 169197114) is N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide is CCCc1[nH]c2c(Cl)c(Cl)ccc2c1CNC(=O)C1=NCN(C)N1.
What is the InChIKey of N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide?
The InChIKey is GNRCZBZPZFKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-3-4-12-10(7-19-16(24)15-20-8-23(2)22-15)9-5-6-11(17)13(18)14(9)21-12/h5-6,21H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide?
N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dichloro-2-propyl-1H-indol-3-yl)methyl]-2-methyl-1,3-dihydro-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 169197114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).