(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide

C14H14N6O — CID 104919505

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccnn1
InChIInChI=1S/C14H14N6O/c15-11(13(21)19-14-16-5-6-18-20-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2,(H,16,19,20,21)/t11-/m0/s1
InChIKeyACPRDIMAHWJXKI-NSHDSACASA-N
MW282.31 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 104919505) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID104919505
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccnn1
InChIInChI=1S/C14H14N6O/c15-11(13(21)19-14-16-5-6-18-20-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2,(H,16,19,20,21)/t11-/m0/s1
InChIKeyACPRDIMAHWJXKI-NSHDSACASA-N
XLogP0.86
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide (CID 104919505) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccnn1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is ACPRDIMAHWJXKI-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N6O/c15-11(13(21)19-14-16-5-6-18-20-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2,(H,16,19,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 104919505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).