6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide

C13H25N5O — CID 80682085

IUPAC6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCCc1ncn(C)n1
InChIInChI=1S/C13H25N5O/c1-3-11(6-8-14)4-5-13(19)15-9-7-12-16-10-18(2)17-12/h10-11H,3-9,14H2,1-2H3,(H,15,19)
InChIKeyWESGAFACHONPQF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.63
Rot. Bonds9

About 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide

6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (PubChem CID 80682085) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
PubChem CID80682085
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCCc1ncn(C)n1
InChIInChI=1S/C13H25N5O/c1-3-11(6-8-14)4-5-13(19)15-9-7-12-16-10-18(2)17-12/h10-11H,3-9,14H2,1-2H3,(H,15,19)
InChIKeyWESGAFACHONPQF-UHFFFAOYSA-N
XLogP0.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80683065
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682364
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 103797782
3-chloro-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682330
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 112605558
3-amino-3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80682439
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-ethylhexanamide
CID 106175300
2-methyl-3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682981
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide (CID 80682085) is 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is CCC(CCN)CCC(=O)NCCc1ncn(C)n1.
What is the InChIKey of 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
The InChIKey is WESGAFACHONPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-11(6-8-14)4-5-13(19)15-9-7-12-16-10-18(2)17-12/h10-11H,3-9,14H2,1-2H3,(H,15,19).
What are the key properties of 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide?
6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide has a molecular weight of 267.38 g/mol, XLogP of 0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 80682085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).