N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C13H17N5O2 — CID 167776744

IUPACN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)c1cc2c([nH]1)CCCC2
InChIInChI=1S/C13H17N5O2/c1-18(7-11-15-13(20)17-16-11)12(19)10-6-8-4-2-3-5-9(8)14-10/h6,14H,2-5,7H2,1H3,(H2,15,16,17,20)
InChIKeyWKHWVUKHMRAQHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.58
Rot. Bonds3

About N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 167776744) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID167776744
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)c1cc2c([nH]1)CCCC2
InChIInChI=1S/C13H17N5O2/c1-18(7-11-15-13(20)17-16-11)12(19)10-6-8-4-2-3-5-9(8)14-10/h6,14H,2-5,7H2,1H3,(H2,15,16,17,20)
InChIKeyWKHWVUKHMRAQHZ-UHFFFAOYSA-N
XLogP0.58
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 167776744) is N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is CN(Cc1n[nH]c(=O)[nH]1)C(=O)c1cc2c([nH]1)CCCC2.
What is the InChIKey of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is WKHWVUKHMRAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18(7-11-15-13(20)17-16-11)12(19)10-6-8-4-2-3-5-9(8)14-10/h6,14H,2-5,7H2,1H3,(H2,15,16,17,20).
What are the key properties of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167776744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).