1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide

C14H19N5O — CID 114387937

IUPAC1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(C#N)CCCC2)nc1CC
InChIInChI=1S/C14H19N5O/c1-3-10-11(4-2)18-19-13(16-10)17-12(20)14(9-15)7-5-6-8-14/h3-8H2,1-2H3,(H,16,17,19,20)
InChIKeyNIKKDKASBQQSDV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.02
Rot. Bonds4

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

1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide (PubChem CID 114387937) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
PubChem CID114387937
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2(C#N)CCCC2)nc1CC
InChIInChI=1S/C14H19N5O/c1-3-10-11(4-2)18-19-13(16-10)17-12(20)14(9-15)7-5-6-8-14/h3-8H2,1-2H3,(H,16,17,19,20)
InChIKeyNIKKDKASBQQSDV-UHFFFAOYSA-N
XLogP2.02
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210
1-cyano-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 60583972
1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
CID 154752575
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
2-[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]acetic acid
CID 105362120
1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
CID 114387955
1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 114251204
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 114387635

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide (CID 114387937) is 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide is CCc1nnc(NC(=O)C2(C#N)CCCC2)nc1CC.
What is the InChIKey of 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide?
The InChIKey is NIKKDKASBQQSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-10-11(4-2)18-19-13(16-10)17-12(20)14(9-15)7-5-6-8-14/h3-8H2,1-2H3,(H,16,17,19,20).
What are the key properties of 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114387937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).