N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

C13H15N5O — CID 80565639

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H15N5O/c1-18-8-16-17-12(18)7-15-13(19)10-6-14-11-5-3-2-4-9(10)11/h2-5,8,10,14H,6-7H2,1H3,(H,15,19)
InChIKeyDPJZAHHSUTUQLE-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.64
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565639) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565639
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H15N5O/c1-18-8-16-17-12(18)7-15-13(19)10-6-14-11-5-3-2-4-9(10)11/h2-5,8,10,14H,6-7H2,1H3,(H,15,19)
InChIKeyDPJZAHHSUTUQLE-UHFFFAOYSA-N
XLogP0.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80572684
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567109
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107163981
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80565639) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is Cn1cnnc1CNC(=O)C1CNc2ccccc21.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is DPJZAHHSUTUQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-8-16-17-12(18)7-15-13(19)10-6-14-11-5-3-2-4-9(10)11/h2-5,8,10,14H,6-7H2,1H3,(H,15,19).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).