4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide

C15H19N5O — CID 114386789

IUPAC4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(CN)cc2)nc1CC
InChIInChI=1S/C15H19N5O/c1-3-12-13(4-2)19-20-15(17-12)18-14(21)11-7-5-10(9-16)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,20,21)
InChIKeyBLPLBJBNQUJDCH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.71
Rot. Bonds5

About 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide

4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide (PubChem CID 114386789) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
PubChem CID114386789
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(CN)cc2)nc1CC
InChIInChI=1S/C15H19N5O/c1-3-12-13(4-2)19-20-15(17-12)18-14(21)11-7-5-10(9-16)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,20,21)
InChIKeyBLPLBJBNQUJDCH-UHFFFAOYSA-N
XLogP1.71
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
CID 102852157
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199
N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363520
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114387665
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362226

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide (CID 114386789) is 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide is CCc1nnc(NC(=O)c2ccc(CN)cc2)nc1CC.
What is the InChIKey of 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide?
The InChIKey is BLPLBJBNQUJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-12-13(4-2)19-20-15(17-12)18-14(21)11-7-5-10(9-16)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,20,21).
What are the key properties of 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide?
4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide has a molecular weight of 285.35 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 4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114386789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).