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

C8H13N5O — CID 107570774

IUPAC(2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C8H13N5O/c1-2-3-6(9)7(14)12-8-10-4-5-11-13-8/h4-6H,2-3,9H2,1H3,(H,10,12,13,14)/t6-/m1/s1
InChIKeyHLCFTWYVSVNMGL-ZCFIWIBFSA-N
MW195.23 g/mol
LogP-0.06
Rot. Bonds4

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

(2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide (PubChem CID 107570774) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide
PubChem CID107570774
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C8H13N5O/c1-2-3-6(9)7(14)12-8-10-4-5-11-13-8/h4-6H,2-3,9H2,1H3,(H,10,12,13,14)/t6-/m1/s1
InChIKeyHLCFTWYVSVNMGL-ZCFIWIBFSA-N
XLogP-0.06
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.06
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)pentanamide?
The IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide (CID 107570774) is (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide is CCC[C@@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide?
The InChIKey is HLCFTWYVSVNMGL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N5O/c1-2-3-6(9)7(14)12-8-10-4-5-11-13-8/h4-6H,2-3,9H2,1H3,(H,10,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide?
(2R)-2-amino-N-(1,2,4-triazin-3-yl)pentanamide has a molecular weight of 195.23 g/mol, XLogP of -0.06, 4 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)pentanamide is sourced from PubChem (CID 107570774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).