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

C14H23N5O — CID 114387673

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCCCN2)nc1CC
InChIInChI=1S/C14H23N5O/c1-3-10-11(4-2)18-19-14(16-10)17-13(20)12-8-6-5-7-9-15-12/h12,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyQLTRRUWSUIWEHS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.47
Rot. Bonds4

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

N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide (PubChem CID 114387673) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
PubChem CID114387673
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCCCN2)nc1CC
InChIInChI=1S/C14H23N5O/c1-3-10-11(4-2)18-19-14(16-10)17-13(20)12-8-6-5-7-9-15-12/h12,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyQLTRRUWSUIWEHS-UHFFFAOYSA-N
XLogP1.47
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 130748103
(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide
CID 134710776
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861
(2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)piperidine-2-carboxamide;hydrochloride
CID 154914215
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250
N-(5-ethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104617951
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide (CID 114387673) is N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide is CCc1nnc(NC(=O)C2CCCCCN2)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide?
The InChIKey is QLTRRUWSUIWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-10-11(4-2)18-19-14(16-10)17-13(20)12-8-6-5-7-9-15-12/h12,15H,3-9H2,1-2H3,(H,16,17,19,20).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide is sourced from PubChem (CID 114387673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).