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

C10H18N4 — CID 20791667

IUPAC1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nc(CN2CCCCC2)nn1C
InChIInChI=1S/C10H18N4/c1-9-11-10(12-13(9)2)8-14-6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyQVVBAFAQVZAVID-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.11
Rot. Bonds2

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

1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 20791667) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID20791667
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCc1nc(CN2CCCCC2)nn1C
InChIInChI=1S/C10H18N4/c1-9-11-10(12-13(9)2)8-14-6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyQVVBAFAQVZAVID-UHFFFAOYSA-N
XLogP1.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
4-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]butanenitrile
CID 53625621
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-(dimethyl-1H-1,2,4-triazol-1-yl)piperidine
CID 61346563
8-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 56711732
5-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanenitrile
CID 72142125
1-[2-(1-butyl-3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylpiperazine
CID 72860700
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
1-[(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 129615362
7-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 67978731
7-hexyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 166789296

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 20791667) is 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine is Cc1nc(CN2CCCCC2)nn1C.
What is the InChIKey of 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is QVVBAFAQVZAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-11-10(12-13(9)2)8-14-6-4-3-5-7-14/h3-8H2,1-2H3.
What are the key properties of 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine?
1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 20791667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).