4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine

C17H29N7 — CID 72846259

IUPAC4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CCC(C)C)CC1
InChIInChI=1S/C17H29N7/c1-4-24-16(11-23-13-18-12-19-23)20-21-17(24)15-6-9-22(10-7-15)8-5-14(2)3/h12-15H,4-11H2,1-3H3
InChIKeyCQCTXRNULXOYGW-UHFFFAOYSA-N
MW331.47 g/mol
LogP2.16
Rot. Bonds7

About 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine

4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine (PubChem CID 72846259) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine
PubChem CID72846259
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CCC(C)C)CC1
InChIInChI=1S/C17H29N7/c1-4-24-16(11-23-13-18-12-19-23)20-21-17(24)15-6-9-22(10-7-15)8-5-14(2)3/h12-15H,4-11H2,1-3H3
InChIKeyCQCTXRNULXOYGW-UHFFFAOYSA-N
XLogP2.16
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine with MolForge

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Related Compounds

4-(3-Methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 15663651
(3R,4S)-3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 44317485
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72848313
rel-(1R,5S,6r)-6-({4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methyl)-3-azabicyclo[3.1.0]hexane dihydrochloride
CID 72849358
4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1,4'-bipiperidine
CID 72849548
1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72918437
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-propionylpiperidine
CID 72933217
(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-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine?
The IUPAC name of 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine (CID 72846259) is 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine is CCn1c(Cn2cncn2)nnc1C1CCN(CCC(C)C)CC1.
What is the InChIKey of 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine?
The InChIKey is CQCTXRNULXOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-4-24-16(11-23-13-18-12-19-23)20-21-17(24)15-6-9-22(10-7-15)8-5-14(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine?
4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine has a molecular weight of 331.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 72846259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).