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

C6H9N5O — CID 15678298

IUPAC3-amino-N-(1,2,4-triazin-3-yl)propanamide
SMILESNCCC(=O)Nc1nccnn1
InChIInChI=1S/C6H9N5O/c7-2-1-5(12)10-6-8-3-4-9-11-6/h3-4H,1-2,7H2,(H,8,10,11,12)
InChIKeyISKTYISYFCGRMC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.84
Rot. Bonds3

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

3-amino-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 15678298) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID15678298
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name3-amino-N-(1,2,4-triazin-3-yl)propanamide
SMILESNCCC(=O)Nc1nccnn1
InChIInChI=1S/C6H9N5O/c7-2-1-5(12)10-6-8-3-4-9-11-6/h3-4H,1-2,7H2,(H,8,10,11,12)
InChIKeyISKTYISYFCGRMC-UHFFFAOYSA-N
XLogP-0.84
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)propanamide (CID 15678298) is 3-amino-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 3-amino-N-(1,2,4-triazin-3-yl)propanamide is NCCC(=O)Nc1nccnn1.
What is the InChIKey of 3-amino-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is ISKTYISYFCGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-2-1-5(12)10-6-8-3-4-9-11-6/h3-4H,1-2,7H2,(H,8,10,11,12).
What are the key properties of 3-amino-N-(1,2,4-triazin-3-yl)propanamide?
3-amino-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 15678298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).