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

C11H20N4 — CID 23389272

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2ncnn2C)CC1
InChIInChI=1S/C11H20N4/c1-3-6-15-7-4-10(5-8-15)11-12-9-13-14(11)2/h9-10H,3-8H2,1-2H3
InChIKeyHKHRJCVCKCIZII-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.40
Rot. Bonds3

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

4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine (PubChem CID 23389272) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
PubChem CID23389272
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2ncnn2C)CC1
InChIInChI=1S/C11H20N4/c1-3-6-15-7-4-10(5-8-15)11-12-9-13-14(11)2/h9-10H,3-8H2,1-2H3
InChIKeyHKHRJCVCKCIZII-UHFFFAOYSA-N
XLogP1.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.40
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
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride
CID 132300878
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine (CID 23389272) is 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine is CCCN1CCC(c2ncnn2C)CC1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine?
The InChIKey is HKHRJCVCKCIZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-6-15-7-4-10(5-8-15)11-12-9-13-14(11)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine?
4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-1-propylpiperidine is sourced from PubChem (CID 23389272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).