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

C6H9N5O — CID 104919508

IUPAC(2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C6H9N5O/c1-4(7)5(12)10-6-8-2-3-9-11-6/h2-4H,7H2,1H3,(H,8,10,11,12)/t4-/m1/s1
InChIKeyALSRRSHNZDZMHZ-SCSAIBSYSA-N
MW167.17 g/mol
LogP-0.84
Rot. Bonds2

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

(2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 104919508) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID104919508
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C6H9N5O/c1-4(7)5(12)10-6-8-2-3-9-11-6/h2-4H,7H2,1H3,(H,8,10,11,12)/t4-/m1/s1
InChIKeyALSRRSHNZDZMHZ-SCSAIBSYSA-N
XLogP-0.84
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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 (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide (CID 104919508) is (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide is C[C@@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is ALSRRSHNZDZMHZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-4(7)5(12)10-6-8-2-3-9-11-6/h2-4H,7H2,1H3,(H,8,10,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide?
(2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 104919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).