1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

C13H23N5O — CID 55038245

IUPAC1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCCCC1)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-10(11-17-15-9-18(11)2)16-12(19)13(8-14)6-4-3-5-7-13/h9-10H,3-8,14H2,1-2H3,(H,16,19)
InChIKeyJAHKKFSKNBXXDT-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.90
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 55038245) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID55038245
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCCCC1)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-10(11-17-15-9-18(11)2)16-12(19)13(8-14)6-4-3-5-7-13/h9-10H,3-8,14H2,1-2H3,(H,16,19)
InChIKeyJAHKKFSKNBXXDT-UHFFFAOYSA-N
XLogP0.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 55038245) is 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(CN)CCCCC1)c1nncn1C.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JAHKKFSKNBXXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(11-17-15-9-18(11)2)16-12(19)13(8-14)6-4-3-5-7-13/h9-10H,3-8,14H2,1-2H3,(H,16,19).
What are the key properties of 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55038245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).