1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole

C15H26N4 — CID 72857946

IUPAC1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole
SMILESCN1CCCC1Cc1ncnn1CC1CCCCC1
InChIInChI=1S/C15H26N4/c1-18-9-5-8-14(18)10-15-16-12-17-19(15)11-13-6-3-2-4-7-13/h12-14H,2-11H2,1H3
InChIKeyFZVYRPYHKXFCLK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole

1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole (PubChem CID 72857946) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole
PubChem CID72857946
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole
SMILESCN1CCCC1Cc1ncnn1CC1CCCCC1
InChIInChI=1S/C15H26N4/c1-18-9-5-8-14(18)10-15-16-12-17-19(15)11-13-6-3-2-4-7-13/h12-14H,2-11H2,1H3
InChIKeyFZVYRPYHKXFCLK-UHFFFAOYSA-N
XLogP2.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole (CID 72857946) is 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole is CN1CCCC1Cc1ncnn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole?
The InChIKey is FZVYRPYHKXFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18-9-5-8-14(18)10-15-16-12-17-19(15)11-13-6-3-2-4-7-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole?
1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 72857946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).