3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C17H31N5O — CID 91779339

IUPAC3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)CC2CCCC2)nnc1C1CC(N)C1
InChIInChI=1S/C17H31N5O/c1-21(11-13-5-3-4-6-13)12-16-19-20-17(14-9-15(18)10-14)22(16)7-8-23-2/h13-15H,3-12,18H2,1-2H3
InChIKeyAXTUATRZTMWBSP-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.75
Rot. Bonds8

About 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91779339) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91779339
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN(C)CC2CCCC2)nnc1C1CC(N)C1
InChIInChI=1S/C17H31N5O/c1-21(11-13-5-3-4-6-13)12-16-19-20-17(14-9-15(18)10-14)22(16)7-8-23-2/h13-15H,3-12,18H2,1-2H3
InChIKeyAXTUATRZTMWBSP-UHFFFAOYSA-N
XLogP1.75
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

[trans-3-(4-methyl-5-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91792047
2-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 91794321
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
cis-3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91766313
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 109853819
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyethyl)-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 109853895
[5-(3,3-Difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
CID 114226820
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylpiperidine-4-carbonitrile
CID 91761941
4-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 62711583
3-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)cyclohexanamine
CID 63044428

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91779339) is 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN(C)CC2CCCC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is AXTUATRZTMWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-21(11-13-5-3-4-6-13)12-16-19-20-17(14-9-15(18)10-14)22(16)7-8-23-2/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 321.47 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[cyclopentylmethyl(methyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91779339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).