3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

C9H15ClN4 — CID 19610961

IUPAC3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCc1cnn(C2CN3CCC2C3)n1.Cl
InChIInChI=1S/C9H14N4.ClH/c1-7-4-10-13(11-7)9-6-12-3-2-8(9)5-12;/h4,8-9H,2-3,5-6H2,1H3;1H
InChIKeyTYLGHRKDADKFKF-UHFFFAOYSA-N
MW214.70 g/mol
LogP0.88
Rot. Bonds1

About 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 19610961) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID19610961
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCc1cnn(C2CN3CCC2C3)n1.Cl
InChIInChI=1S/C9H14N4.ClH/c1-7-4-10-13(11-7)9-6-12-3-2-8(9)5-12;/h4,8-9H,2-3,5-6H2,1H3;1H
InChIKeyTYLGHRKDADKFKF-UHFFFAOYSA-N
XLogP0.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.2]octane;hydrochloride
CID 19610889
(3R,4R)-3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 58732567
3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610931
3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
CID 15669977
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19610924
3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
CID 115019182
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
(3S,4R)-3-tert-butyl-1-azabicyclo[2.2.1]heptane
CID 66827257

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (CID 19610961) is 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is Cc1cnn(C2CN3CCC2C3)n1.Cl.
What is the InChIKey of 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is TYLGHRKDADKFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.ClH/c1-7-4-10-13(11-7)9-6-12-3-2-8(9)5-12;/h4,8-9H,2-3,5-6H2,1H3;1H.
What are the key properties of 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 19610961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).