6-(triazol-1-yl)-1,4-oxazepane

C7H12N4O — CID 176889963

IUPAC6-(triazol-1-yl)-1,4-oxazepane
SMILESc1cn(C2CNCCOC2)nn1
InChIInChI=1S/C7H12N4O/c1-3-11(10-9-1)7-5-8-2-4-12-6-7/h1,3,7-8H,2,4-6H2
InChIKeyRINPPJMWZMXNCY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.56
Rot. Bonds1

About 6-(triazol-1-yl)-1,4-oxazepane

6-(triazol-1-yl)-1,4-oxazepane (PubChem CID 176889963) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(triazol-1-yl)-1,4-oxazepane.

Molecular Properties

Compound Name6-(triazol-1-yl)-1,4-oxazepane
PubChem CID176889963
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-(triazol-1-yl)-1,4-oxazepane
SMILESc1cn(C2CNCCOC2)nn1
InChIInChI=1S/C7H12N4O/c1-3-11(10-9-1)7-5-8-2-4-12-6-7/h1,3,7-8H,2,4-6H2
InChIKeyRINPPJMWZMXNCY-UHFFFAOYSA-N
XLogP-0.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-3-yltriazole;hydrochloride
CID 19005943
(3S)-3-(triazol-1-yl)piperidine
CID 86332249
(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol
CID 45083067
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
CID 121183831
morpholine;triazole-1-carboxylic acid
CID 161053581
3-(triazol-1-yl)cyclobutan-1-one
CID 166000028
N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 103548678
phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone
CID 69152119
(6S)-6-methyl-1,4-oxazepane;hydrochloride
CID 172639102
1,4-oxazepan-6-amine;dihydrochloride
CID 135392997
N-(morpholin-3-ylmethyl)-3-(triazol-1-yl)propanamide
CID 103548648
(3R,4S)-N,N-dimethyl-1-(oxan-4-yl)-4-(triazol-1-yl)pyrrolidin-3-amine
CID 167958011

Frequently Asked Questions

What is the IUPAC name of 6-(triazol-1-yl)-1,4-oxazepane?
The IUPAC name of 6-(triazol-1-yl)-1,4-oxazepane (CID 176889963) is 6-(triazol-1-yl)-1,4-oxazepane.
What is the SMILES notation for 6-(triazol-1-yl)-1,4-oxazepane?
The canonical SMILES for 6-(triazol-1-yl)-1,4-oxazepane is c1cn(C2CNCCOC2)nn1.
What is the InChIKey of 6-(triazol-1-yl)-1,4-oxazepane?
The InChIKey is RINPPJMWZMXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11(10-9-1)7-5-8-2-4-12-6-7/h1,3,7-8H,2,4-6H2.
What are the key properties of 6-(triazol-1-yl)-1,4-oxazepane?
6-(triazol-1-yl)-1,4-oxazepane has a molecular weight of 168.20 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(triazol-1-yl)-1,4-oxazepane is sourced from PubChem (CID 176889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).