1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride

C8H15ClN4 — CID 22128928

IUPAC1-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride
SMILESC1CCN(CC1)CN2C=NC=N2.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-4-11(5-3-1)8-12-7-9-6-10-12;/h6-7H,1-5,8H2;1H
InChIKeySHNKOYLKPWNMBH-UHFFFAOYSA-N
MW202.68 g/mol
LogP—
Rot. Bonds2

About 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride

1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride (PubChem CID 22128928) has the molecular formula C8H15ClN4 and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride
PubChem CID22128928
Molecular FormulaC8H15ClN4
Molecular Weight202.68 g/mol
Exact Mass202.10
IUPAC Name1-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride
SMILESC1CCN(CC1)CN2C=NC=N2.Cl
InChIInChI=1S/C8H14N4.ClH/c1-2-4-11(5-3-1)8-12-7-9-6-10-12;/h6-7H,1-5,8H2;1H
InChIKeySHNKOYLKPWNMBH-UHFFFAOYSA-N
XLogP—
TPSA34.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
CID 3039955
Piperidin-1-yl(1,2,4-triazol-1-yl)methanone
CID 127033071
3-Fluoro-1-methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 124187552
3-(Fluoromethyl)-1-(2-methyl-1,2,4-triazol-3-yl)piperidine
CID 137956922
1-(1,2,4-Triazol-1-ylmethyl)piperidine
CID 4418202
N-butyl-N-(1,2,4-triazol-1-ylmethyl)butan-1-amine
CID 13561154
1-(1,2,4-Triazol-1-yl)piperidine
CID 21663331
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-(4-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854916
1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 51000288
(3R)-1-propan-2-yl-3-(1,2,4-triazol-4-yl)piperidine
CID 57575208
(3S)-1-propan-2-yl-3-(1,2,4-triazol-4-yl)piperidine
CID 57575217

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride (CID 22128928) is 1-(1,2,4-triazol-1-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride is C1CCN(CC1)CN2C=NC=N2.Cl.
What is the InChIKey of 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride?
The InChIKey is SHNKOYLKPWNMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-2-4-11(5-3-1)8-12-7-9-6-10-12;/h6-7H,1-5,8H2;1H.
What are the key properties of 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride?
1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride has a molecular weight of 202.68 g/mol, XLogP of not available, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 22128928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).