(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide

C10H16N6O2 — CID 104919515

IUPAC(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1nccnn1
InChIInChI=1S/C10H16N6O2/c1-6(2)8(11)9(18)13-5-7(17)15-10-12-3-4-14-16-10/h3-4,6,8H,5,11H2,1-2H3,(H,13,18)(H,12,15,16,17)/t8-/m0/s1
InChIKeyOCPZEYBADJADMP-QMMMGPOBSA-N
MW252.28 g/mol
LogP-1.09
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide (PubChem CID 104919515) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
PubChem CID104919515
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1nccnn1
InChIInChI=1S/C10H16N6O2/c1-6(2)8(11)9(18)13-5-7(17)15-10-12-3-4-14-16-10/h3-4,6,8H,5,11H2,1-2H3,(H,13,18)(H,12,15,16,17)/t8-/m0/s1
InChIKeyOCPZEYBADJADMP-QMMMGPOBSA-N
XLogP-1.09
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
CID 114387744
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
2-(ethylamino)-N-(1,2,4-triazin-3-yl)acetamide
CID 114387856
(2S)-2-amino-N-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 103884969
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
CID 114387858
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040
2-amino-N-(1,2,4-triazin-3-yl)hexanamide
CID 104919504
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide (CID 104919515) is (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)Nc1nccnn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide?
The InChIKey is OCPZEYBADJADMP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-6(2)8(11)9(18)13-5-7(17)15-10-12-3-4-14-16-10/h3-4,6,8H,5,11H2,1-2H3,(H,13,18)(H,12,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide has a molecular weight of 252.28 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide is sourced from PubChem (CID 104919515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).