4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

C14H24N4 — CID 61370950

IUPAC4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCc1nnc(CC2CCCN2)n1C1CCCCC1
InChIInChI=1S/C14H24N4/c1-11-16-17-14(10-12-6-5-9-15-12)18(11)13-7-3-2-4-8-13/h12-13,15H,2-10H2,1H3
InChIKeyLEOSNBYASXNVLO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds3

About 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (PubChem CID 61370950) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
PubChem CID61370950
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCc1nnc(CC2CCCN2)n1C1CCCCC1
InChIInChI=1S/C14H24N4/c1-11-16-17-14(10-12-6-5-9-15-12)18(11)13-7-3-2-4-8-13/h12-13,15H,2-10H2,1H3
InChIKeyLEOSNBYASXNVLO-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 61361161
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915219
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82013658
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 61362176
2-cyclobutyl-5-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999578
(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915216
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
4-cyclohexyl-3-[[4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 16516707
3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (CID 61370950) is 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is Cc1nnc(CC2CCCN2)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The InChIKey is LEOSNBYASXNVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-16-17-14(10-12-6-5-9-15-12)18(11)13-7-3-2-4-8-13/h12-13,15H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole has a molecular weight of 248.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 61370950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).