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

C12H21N5O — CID 119891215

IUPAC1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nncn1CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N5O/c1-10-16-15-9-17(10)8-7-14-11(18)12(13)5-3-2-4-6-12/h9H,2-8,13H2,1H3,(H,14,18)
InChIKeyLBDZFLDGAHHMGQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.36
Rot. Bonds4

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

1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119891215) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119891215
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nncn1CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N5O/c1-10-16-15-9-17(10)8-7-14-11(18)12(13)5-3-2-4-6-12/h9H,2-8,13H2,1H3,(H,14,18)
InChIKeyLBDZFLDGAHHMGQ-UHFFFAOYSA-N
XLogP0.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 119891215) is 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide is Cc1nncn1CCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LBDZFLDGAHHMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-16-15-9-17(10)8-7-14-11(18)12(13)5-3-2-4-6-12/h9H,2-8,13H2,1H3,(H,14,18).
What are the key properties of 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119891215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).