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

C12H21N5O — CID 106097326

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
SMILESCCc1nnc(NC(C)(C)CC(N)=O)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-11(14-8)15-12(3,4)7-10(13)18/h5-7H2,1-4H3,(H2,13,18)(H,14,15,17)
InChIKeyUYKBTQKNXWYQND-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds6

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

3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide (PubChem CID 106097326) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
PubChem CID106097326
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
SMILESCCc1nnc(NC(C)(C)CC(N)=O)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-11(14-8)15-12(3,4)7-10(13)18/h5-7H2,1-4H3,(H2,13,18)(H,14,15,17)
InChIKeyUYKBTQKNXWYQND-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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]acetamide
CID 105362361
5,6-diethyl-N-(2-methylpentan-2-yl)-1,2,4-triazin-3-amine
CID 105362826
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 114143236
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106098081

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide (CID 106097326) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide is CCc1nnc(NC(C)(C)CC(N)=O)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
The InChIKey is UYKBTQKNXWYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-11(14-8)15-12(3,4)7-10(13)18/h5-7H2,1-4H3,(H2,13,18)(H,14,15,17).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).