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

C12H19N5O — CID 114387210

IUPAC1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(CN)CC2)nc1CC
InChIInChI=1S/C12H19N5O/c1-3-8-9(4-2)16-17-11(14-8)15-10(18)12(7-13)5-6-12/h3-7,13H2,1-2H3,(H,14,15,17,18)
InChIKeyQAEQMNDPNKLUIF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.67
Rot. Bonds5

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

1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide (PubChem CID 114387210) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
PubChem CID114387210
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(CN)CC2)nc1CC
InChIInChI=1S/C12H19N5O/c1-3-8-9(4-2)16-17-11(14-8)15-10(18)12(7-13)5-6-12/h3-7,13H2,1-2H3,(H,14,15,17,18)
InChIKeyQAEQMNDPNKLUIF-UHFFFAOYSA-N
XLogP0.67
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 107624981
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-(aminomethyl)-N-(2-methyltetrazol-5-yl)cyclobutane-1-carboxamide
CID 115448772
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
CID 105362120
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide
CID 114387594
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 114387635
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide (CID 114387210) is 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide is CCc1nnc(NC(=O)C2(CN)CC2)nc1CC.
What is the InChIKey of 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is QAEQMNDPNKLUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-8-9(4-2)16-17-11(14-8)15-10(18)12(7-13)5-6-12/h3-7,13H2,1-2H3,(H,14,15,17,18).
What are the key properties of 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114387210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).