2-amino-N-(1,2,4-triazin-3-yl)hexanamide

C9H15N5O — CID 104919504

IUPAC2-amino-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-2-3-4-7(10)8(15)13-9-11-5-6-12-14-9/h5-7H,2-4,10H2,1H3,(H,11,13,14,15)
InChIKeyMGDBRAHAJDRDQI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds5

About 2-amino-N-(1,2,4-triazin-3-yl)hexanamide

2-amino-N-(1,2,4-triazin-3-yl)hexanamide (PubChem CID 104919504) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-N-(1,2,4-triazin-3-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1,2,4-triazin-3-yl)hexanamide
PubChem CID104919504
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-2-3-4-7(10)8(15)13-9-11-5-6-12-14-9/h5-7H,2-4,10H2,1H3,(H,11,13,14,15)
InChIKeyMGDBRAHAJDRDQI-UHFFFAOYSA-N
XLogP0.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
CID 114387757
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
CID 114387858
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
3-amino-2-methoxy-N-(1,2,4-triazin-3-yl)propanamide
CID 106113956
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2,4-triazin-3-yl)hexanamide?
The IUPAC name of 2-amino-N-(1,2,4-triazin-3-yl)hexanamide (CID 104919504) is 2-amino-N-(1,2,4-triazin-3-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(1,2,4-triazin-3-yl)hexanamide?
The canonical SMILES for 2-amino-N-(1,2,4-triazin-3-yl)hexanamide is CCCCC(N)C(=O)Nc1nccnn1.
What is the InChIKey of 2-amino-N-(1,2,4-triazin-3-yl)hexanamide?
The InChIKey is MGDBRAHAJDRDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-3-4-7(10)8(15)13-9-11-5-6-12-14-9/h5-7H,2-4,10H2,1H3,(H,11,13,14,15).
What are the key properties of 2-amino-N-(1,2,4-triazin-3-yl)hexanamide?
2-amino-N-(1,2,4-triazin-3-yl)hexanamide has a molecular weight of 209.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2,4-triazin-3-yl)hexanamide is sourced from PubChem (CID 104919504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).