1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine

C13H20N6 — CID 134698250

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCn1ccnc1CCN1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C13H20N6/c1-18-9-5-14-12(18)4-8-19-6-2-11(3-7-19)13-15-10-16-17-13/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyDGGHXZBJVXQVRC-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.96
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine

1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 134698250) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID134698250
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCn1ccnc1CCN1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C13H20N6/c1-18-9-5-14-12(18)4-8-19-6-2-11(3-7-19)13-15-10-16-17-13/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyDGGHXZBJVXQVRC-UHFFFAOYSA-N
XLogP0.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 114526097
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
CID 114527386
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propanethioamide
CID 114527913
5-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pyridin-2-amine
CID 114528274
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 114529531
2-[3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 110271015

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 134698250) is 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine is Cn1ccnc1CCN1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is DGGHXZBJVXQVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18-9-5-14-12(18)4-8-19-6-2-11(3-7-19)13-15-10-16-17-13/h5,9-11H,2-4,6-8H2,1H3,(H,15,16,17).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 260.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 134698250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).