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

C12H21N5O — CID 43706318

IUPAC1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1nncn1C
InChIInChI=1S/C12H21N5O/c1-9(10-16-14-8-17(10)2)15-11(18)12(13)6-4-3-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyDTNRTHQDPHRUGN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.65
Rot. Bonds3

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

1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 43706318) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID43706318
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1nncn1C
InChIInChI=1S/C12H21N5O/c1-9(10-16-14-8-17(10)2)15-11(18)12(13)6-4-3-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,15,18)
InChIKeyDTNRTHQDPHRUGN-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 43706318) is 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(N)CCCCC1)c1nncn1C.
What is the InChIKey of 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is DTNRTHQDPHRUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(10-16-14-8-17(10)2)15-11(18)12(13)6-4-3-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,15,18).
What are the key properties of 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 43706318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).