N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide

C14H25N5O — CID 105362793

IUPACN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
SMILESCCc1nnc(NC(C)C(=O)NC(C)(C)C)nc1CC
InChIInChI=1S/C14H25N5O/c1-7-10-11(8-2)18-19-13(16-10)15-9(3)12(20)17-14(4,5)6/h9H,7-8H2,1-6H3,(H,17,20)(H,15,16,19)
InChIKeyANYXUCBHZXYSRR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.71
Rot. Bonds5

About N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide

N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide (PubChem CID 105362793) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
PubChem CID105362793
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
SMILESCCc1nnc(NC(C)C(=O)NC(C)(C)C)nc1CC
InChIInChI=1S/C14H25N5O/c1-7-10-11(8-2)18-19-13(16-10)15-9(3)12(20)17-14(4,5)6/h9H,7-8H2,1-6H3,(H,17,20)(H,15,16,19)
InChIKeyANYXUCBHZXYSRR-UHFFFAOYSA-N
XLogP1.71
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
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-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 105362578
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide (CID 105362793) is N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide is CCc1nnc(NC(C)C(=O)NC(C)(C)C)nc1CC.
What is the InChIKey of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide?
The InChIKey is ANYXUCBHZXYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-7-10-11(8-2)18-19-13(16-10)15-9(3)12(20)17-14(4,5)6/h9H,7-8H2,1-6H3,(H,17,20)(H,15,16,19).
What are the key properties of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide?
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide has a molecular weight of 279.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide is sourced from PubChem (CID 105362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).