2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide

C12H21N5O — CID 103095305

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
SMILESCCc1nnc(NC(C(N)=O)C(C)C)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-10(7(3)4)11(13)18/h7,10H,5-6H2,1-4H3,(H2,13,18)(H,14,15,17)
InChIKeyOQWUGISFKWVAPW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide (PubChem CID 103095305) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
PubChem CID103095305
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
SMILESCCc1nnc(NC(C(N)=O)C(C)C)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-10(7(3)4)11(13)18/h7,10H,5-6H2,1-4H3,(H2,13,18)(H,14,15,17)
InChIKeyOQWUGISFKWVAPW-UHFFFAOYSA-N
XLogP0.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
(2R)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 104919555
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide (CID 103095305) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide is CCc1nnc(NC(C(N)=O)C(C)C)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The InChIKey is OQWUGISFKWVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-10(7(3)4)11(13)18/h7,10H,5-6H2,1-4H3,(H2,13,18)(H,14,15,17).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 103095305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).