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

C15H23N7 — CID 136533416

IUPAC1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCn1c(CN2CCC(Cn3cncn3)CC2)nnc1C1CC1
InChIInChI=1S/C15H23N7/c1-20-14(18-19-15(20)13-2-3-13)9-21-6-4-12(5-7-21)8-22-11-16-10-17-22/h10-13H,2-9H2,1H3
InChIKeyYHYPPDNYYMCGNT-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.20
Rot. Bonds5

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

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 136533416) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID136533416
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCn1c(CN2CCC(Cn3cncn3)CC2)nnc1C1CC1
InChIInChI=1S/C15H23N7/c1-20-14(18-19-15(20)13-2-3-13)9-21-6-4-12(5-7-21)8-22-11-16-10-17-22/h10-13H,2-9H2,1H3
InChIKeyYHYPPDNYYMCGNT-UHFFFAOYSA-N
XLogP1.20
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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
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
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
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 53192542
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine
CID 72845474
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 136533416) is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine is Cn1c(CN2CCC(Cn3cncn3)CC2)nnc1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is YHYPPDNYYMCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-20-14(18-19-15(20)13-2-3-13)9-21-6-4-12(5-7-21)8-22-11-16-10-17-22/h10-13H,2-9H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 301.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 136533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).