azocan-1-yl(2H-triazol-4-yl)methanone

C10H16N4O — CID 47335062

IUPACazocan-1-yl(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCCCCCC1
InChIInChI=1S/C10H16N4O/c15-10(9-8-11-13-12-9)14-6-4-2-1-3-5-7-14/h8H,1-7H2,(H,11,12,13)
InChIKeyMGXCWKXVZVMNQH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds1

About azocan-1-yl(2H-triazol-4-yl)methanone

azocan-1-yl(2H-triazol-4-yl)methanone (PubChem CID 47335062) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is azocan-1-yl(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(2H-triazol-4-yl)methanone
PubChem CID47335062
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Nameazocan-1-yl(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCCCCCC1
InChIInChI=1S/C10H16N4O/c15-10(9-8-11-13-12-9)14-6-4-2-1-3-5-7-14/h8H,1-7H2,(H,11,12,13)
InChIKeyMGXCWKXVZVMNQH-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
1,4-thiazepan-4-yl(2H-triazol-4-yl)methanone
CID 78968241
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115304598
N,N-dimethyl-2-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 112733403

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(2H-triazol-4-yl)methanone?
The IUPAC name of azocan-1-yl(2H-triazol-4-yl)methanone (CID 47335062) is azocan-1-yl(2H-triazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl(2H-triazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(2H-triazol-4-yl)methanone?
The InChIKey is MGXCWKXVZVMNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(9-8-11-13-12-9)14-6-4-2-1-3-5-7-14/h8H,1-7H2,(H,11,12,13).
What are the key properties of azocan-1-yl(2H-triazol-4-yl)methanone?
azocan-1-yl(2H-triazol-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(2H-triazol-4-yl)methanone is sourced from PubChem (CID 47335062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).