4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide

C13H25N5O — CID 106282651

IUPAC4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCC(CCN)C(C)C)c1ncn[nH]1
InChIInChI=1S/C13H25N5O/c1-9(2)11(6-7-14)4-5-12(19)17-10(3)13-15-8-16-18-13/h8-11H,4-7,14H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyISKNXHAYUYFELI-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.38
Rot. Bonds8

About 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide

4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (PubChem CID 106282651) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
PubChem CID106282651
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCC(CCN)C(C)C)c1ncn[nH]1
InChIInChI=1S/C13H25N5O/c1-9(2)11(6-7-14)4-5-12(19)17-10(3)13-15-8-16-18-13/h8-11H,4-7,14H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyISKNXHAYUYFELI-UHFFFAOYSA-N
XLogP1.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725941
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716323

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (CID 106282651) is 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is CC(NC(=O)CCC(CCN)C(C)C)c1ncn[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The InChIKey is ISKNXHAYUYFELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(2)11(6-7-14)4-5-12(19)17-10(3)13-15-8-16-18-13/h8-11H,4-7,14H2,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide has a molecular weight of 267.38 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is sourced from PubChem (CID 106282651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).