N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide

C12H11N5O — CID 114387742

IUPACN-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1nccnn1)C1CNc2ccccc21
InChIInChI=1S/C12H11N5O/c18-11(16-12-13-5-6-15-17-12)9-7-14-10-4-2-1-3-8(9)10/h1-6,9,14H,7H2,(H,13,16,17,18)
InChIKeyANMNUMQMCVNLMH-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.02
Rot. Bonds2

About N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 114387742) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID114387742
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1nccnn1)C1CNc2ccccc21
InChIInChI=1S/C12H11N5O/c18-11(16-12-13-5-6-15-17-12)9-7-14-10-4-2-1-3-8(9)10/h1-6,9,14H,7H2,(H,13,16,17,18)
InChIKeyANMNUMQMCVNLMH-UHFFFAOYSA-N
XLogP1.02
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566104
N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
CID 142435601
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 114387742) is N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1nccnn1)C1CNc2ccccc21.
What is the InChIKey of N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is ANMNUMQMCVNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-11(16-12-13-5-6-15-17-12)9-7-14-10-4-2-1-3-8(9)10/h1-6,9,14H,7H2,(H,13,16,17,18).
What are the key properties of N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 114387742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).