[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

C14H26N4 — CID 112593083

IUPAC[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)n1c(CN)nnc1CCC1CCCCC1
InChIInChI=1S/C14H26N4/c1-11(2)18-13(16-17-14(18)10-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10,15H2,1-2H3
InChIKeyCATWVHBYGBGQMQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.83
Rot. Bonds5

About [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593083) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593083
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)n1c(CN)nnc1CCC1CCCCC1
InChIInChI=1S/C14H26N4/c1-11(2)18-13(16-17-14(18)10-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10,15H2,1-2H3
InChIKeyCATWVHBYGBGQMQ-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593700
(5-cycloheptylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82929340
3-(chloromethyl)-5-(cycloheptylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 114459446
3-(bromomethyl)-5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazole
CID 115399467
[4-propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanamine
CID 115944004
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069552
2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylacetamide
CID 42902764
2-(2-cyclopentylethyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040168
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
[5-(3,4-dimethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 64740761
[5-(cyclopropylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396195

Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 112593083) is [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is CC(C)n1c(CN)nnc1CCC1CCCCC1.
What is the InChIKey of [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CATWVHBYGBGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-13(16-17-14(18)10-15)9-8-12-6-4-3-5-7-12/h11-12H,3-10,15H2,1-2H3.
What are the key properties of [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclohexylethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).