3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane

C10H16N4 — CID 15669963

IUPAC3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane
SMILESCn1nncc1C1CN2CCC1CC2
InChIInChI=1S/C10H16N4/c1-13-10(6-11-12-13)9-7-14-4-2-8(9)3-5-14/h6,8-9H,2-5,7H2,1H3
InChIKeyDVJDVAAMNXVEST-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.62
Rot. Bonds1

About 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane

3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15669963) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15669963
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane
SMILESCn1nncc1C1CN2CCC1CC2
InChIInChI=1S/C10H16N4/c1-13-10(6-11-12-13)9-7-14-4-2-8(9)3-5-14/h6,8-9H,2-5,7H2,1H3
InChIKeyDVJDVAAMNXVEST-UHFFFAOYSA-N
XLogP0.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-(3-methyltriazol-4-yl)cyclopentan-1-amine
CID 114690489
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
2,6-dimethyl-4-(3-methyltriazol-4-yl)piperidine
CID 130507760
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
3-[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]-1-methylpyrazol-5-amine
CID 117453961
2-methyl-5-(3-methyltriazol-4-yl)piperidine
CID 106781256
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
N-[[4-tert-butyl-2-(3-methyltriazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 114691617
3-(1H-1,2,4-triazol-5-yl)-1-azabicyclo[2.2.2]octane
CID 67759981
3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 10036553
5-(5-chloro-2,2-dimethylcyclohexyl)-1-methyltriazole
CID 165491314
4-(1-azabicyclo[2.2.2]octan-3-yl)benzene-1,3-diamine
CID 69198367

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane (CID 15669963) is 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane is Cn1nncc1C1CN2CCC1CC2.
What is the InChIKey of 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is DVJDVAAMNXVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-10(6-11-12-13)9-7-14-4-2-8(9)3-5-14/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane?
3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 192.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15669963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).