(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide

C9H15N5O — CID 104919517

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-9(2,3)6(10)7(15)13-8-11-4-5-12-14-8/h4-6H,10H2,1-3H3,(H,11,13,14,15)/t6-/m1/s1
InChIKeyOKVSFGCMTNMUEA-ZCFIWIBFSA-N
MW209.25 g/mol
LogP0.18
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 104919517) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID104919517
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C9H15N5O/c1-9(2,3)6(10)7(15)13-8-11-4-5-12-14-8/h4-6H,10H2,1-3H3,(H,11,13,14,15)/t6-/m1/s1
InChIKeyOKVSFGCMTNMUEA-ZCFIWIBFSA-N
XLogP0.18
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide (CID 104919517) is (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide is CC(C)(C)[C@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is OKVSFGCMTNMUEA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N5O/c1-9(2,3)6(10)7(15)13-8-11-4-5-12-14-8/h4-6H,10H2,1-3H3,(H,11,13,14,15)/t6-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 209.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 104919517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).