5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride

C7H13ClN4 — CID 154577099

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CCn2cnnc2C1
InChIInChI=1S/C7H12N4.ClH/c8-4-6-1-2-11-5-9-10-7(11)3-6;/h5-6H,1-4,8H2;1H
InChIKeyFIFZBCZBKWGYLA-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.22
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride (PubChem CID 154577099) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride
PubChem CID154577099
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CCn2cnnc2C1
InChIInChI=1S/C7H12N4.ClH/c8-4-6-1-2-11-5-9-10-7(11)3-6;/h5-6H,1-4,8H2;1H
InChIKeyFIFZBCZBKWGYLA-UHFFFAOYSA-N
XLogP0.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine
CID 20289271
4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 16767493
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 165871877
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 71683342
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 46737139

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride (CID 154577099) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride is Cl.NCC1CCn2cnnc2C1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride?
The InChIKey is FIFZBCZBKWGYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c8-4-6-1-2-11-5-9-10-7(11)3-6;/h5-6H,1-4,8H2;1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 154577099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).