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

C9H15N5O — CID 104919516

IUPAC(2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-3-6(2)7(10)8(15)13-9-11-4-5-12-14-9/h4-7H,3,10H2,1-2H3,(H,11,13,14,15)/t6-,7-/m0/s1
InChIKeyMBOMPEWTWTUDEI-BQBZGAKWSA-N
MW209.25 g/mol
LogP0.18
Rot. Bonds4

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

(2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide (PubChem CID 104919516) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide
PubChem CID104919516
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-3-6(2)7(10)8(15)13-9-11-4-5-12-14-9/h4-7H,3,10H2,1-2H3,(H,11,13,14,15)/t6-,7-/m0/s1
InChIKeyMBOMPEWTWTUDEI-BQBZGAKWSA-N
XLogP0.18
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide (CID 104919516) is (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide?
The InChIKey is MBOMPEWTWTUDEI-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-6(2)7(10)8(15)13-9-11-4-5-12-14-9/h4-7H,3,10H2,1-2H3,(H,11,13,14,15)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide has a molecular weight of 209.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(1,2,4-triazin-3-yl)pentanamide is sourced from PubChem (CID 104919516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).