1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine

C9H16N4 — CID 121478096

IUPAC1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1CCC(c2ncn(C)n2)CC1
InChIInChI=1S/C9H16N4/c1-12-5-3-8(4-6-12)9-10-7-13(2)11-9/h7-8H,3-6H2,1-2H3
InChIKeyWWKIVNINRIPHTE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.62
Rot. Bonds1

About 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine

1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 121478096) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID121478096
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1CCC(c2ncn(C)n2)CC1
InChIInChI=1S/C9H16N4/c1-12-5-3-8(4-6-12)9-10-7-13(2)11-9/h7-8H,3-6H2,1-2H3
InChIKeyWWKIVNINRIPHTE-UHFFFAOYSA-N
XLogP0.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
3-(1-Methyl-1,2,4-triazol-3-yl)-1-azabicyclo[2.2.2]octane
CID 15669967
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
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
1-(Cyclohexylmethyl)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 53609801
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}ethyl)amine dihydrochloride
CID 72933636
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
N,N-Diethyl-3-{[4-(propan-2-YL)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91911869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine (CID 121478096) is 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine is CN1CCC(c2ncn(C)n2)CC1.
What is the InChIKey of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is WWKIVNINRIPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-3-8(4-6-12)9-10-7-13(2)11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine?
1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 121478096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).