3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine

C10H18N4 — CID 54592625

IUPAC3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(CC2CCCNC2)n1
InChIInChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-4-3-5-11-6-10/h10-11H,3-7H2,1-2H3
InChIKeyANUYVQZAPFNGTA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.89
Rot. Bonds2

About 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (PubChem CID 54592625) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
PubChem CID54592625
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(CC2CCCNC2)n1
InChIInChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-4-3-5-11-6-10/h10-11H,3-7H2,1-2H3
InChIKeyANUYVQZAPFNGTA-UHFFFAOYSA-N
XLogP0.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
1-(Cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 53609801
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (CID 54592625) is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is Cc1nc(C)n(CC2CCCNC2)n1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The InChIKey is ANUYVQZAPFNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-4-3-5-11-6-10/h10-11H,3-7H2,1-2H3.
What are the key properties of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is sourced from PubChem (CID 54592625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).