N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide

C14H25N5O — CID 146099011

IUPACN-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
SMILESCCc1nnc(N[C@@H](C)CNC(=O)C(C)C)nc1CC
InChIInChI=1S/C14H25N5O/c1-6-11-12(7-2)18-19-14(17-11)16-10(5)8-15-13(20)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,19)/t10-/m0/s1
InChIKeyQFHWHIRHPATWEL-JTQLQIEISA-N
MW279.39 g/mol
LogP1.57
Rot. Bonds7

About N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide

N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide (PubChem CID 146099011) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
PubChem CID146099011
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
SMILESCCc1nnc(N[C@@H](C)CNC(=O)C(C)C)nc1CC
InChIInChI=1S/C14H25N5O/c1-6-11-12(7-2)18-19-14(17-11)16-10(5)8-15-13(20)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,19)/t10-/m0/s1
InChIKeyQFHWHIRHPATWEL-JTQLQIEISA-N
XLogP1.57
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide (CID 146099011) is N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide is CCc1nnc(N[C@@H](C)CNC(=O)C(C)C)nc1CC.
What is the InChIKey of N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide?
The InChIKey is QFHWHIRHPATWEL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-11-12(7-2)18-19-14(17-11)16-10(5)8-15-13(20)9(3)4/h9-10H,6-8H2,1-5H3,(H,15,20)(H,16,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide?
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide is sourced from PubChem (CID 146099011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).