cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine

C12H22N4 — CID 61377042

IUPACcyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1c(C)nnc1C(N)C1CCCCC1
InChIInChI=1S/C12H22N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h10-11H,3-8,13H2,1-2H3
InChIKeyNRQCUTZHGYCZFU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.19
Rot. Bonds3

About cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine

cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 61377042) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID61377042
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Namecyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1c(C)nnc1C(N)C1CCCCC1
InChIInChI=1S/C12H22N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h10-11H,3-8,13H2,1-2H3
InChIKeyNRQCUTZHGYCZFU-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanamine
CID 61376647
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 61377430
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62377258
cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
CID 54901588
cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
CID 62042819
(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 61378978
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 113449523
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 61378390
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105176345

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine (CID 61377042) is cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine is CCn1c(C)nnc1C(N)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is NRQCUTZHGYCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-9(2)14-15-12(16)11(13)10-7-5-4-6-8-10/h10-11H,3-8,13H2,1-2H3.
What are the key properties of cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine?
cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 61377042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).