N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

C14H17N5O — CID 80683251

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N5O/c1-19-9-17-13(18-19)5-7-16-14(20)11-2-3-12-10(8-11)4-6-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,20)
InChIKeyIUSNPBXORMODRN-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 80683251) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID80683251
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H17N5O/c1-19-9-17-13(18-19)5-7-16-14(20)11-2-3-12-10(8-11)4-6-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,20)
InChIKeyIUSNPBXORMODRN-UHFFFAOYSA-N
XLogP0.76
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 80683251) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide is Cn1cnc(CCNC(=O)c2ccc3c(c2)CCN3)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is IUSNPBXORMODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-17-13(18-19)5-7-16-14(20)11-2-3-12-10(8-11)4-6-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 80683251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).