3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

C14H25N5O — CID 79637454

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(n2nc(C)nc2C)C1
InChIInChI=1S/C14H25N5O/c1-4-8-16-14(13(15)20)7-5-6-12(9-14)19-11(3)17-10(2)18-19/h12,16H,4-9H2,1-3H3,(H2,15,20)
InChIKeyLBYSGNAYPTZOSX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.23
Rot. Bonds5

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79637454) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79637454
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(n2nc(C)nc2C)C1
InChIInChI=1S/C14H25N5O/c1-4-8-16-14(13(15)20)7-5-6-12(9-14)19-11(3)17-10(2)18-19/h12,16H,4-9H2,1-3H3,(H2,15,20)
InChIKeyLBYSGNAYPTZOSX-UHFFFAOYSA-N
XLogP1.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
methyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79634263
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(propylamino)cyclohexane-1-carboxamide
CID 79628730
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79637681
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide (CID 79637454) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(n2nc(C)nc2C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is LBYSGNAYPTZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-8-16-14(13(15)20)7-5-6-12(9-14)19-11(3)17-10(2)18-19/h12,16H,4-9H2,1-3H3,(H2,15,20).
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).