N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline

C14H18N4 — CID 54862655

IUPACN-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
SMILESc1ncn(-c2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-11-15-10-16-18/h6-12,17H,1-5H2
InChIKeyAMVIBUGQTDGHIA-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.01
Rot. Bonds3

About N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline

N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 54862655) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
PubChem CID54862655
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
SMILESc1ncn(-c2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C14H18N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-11-15-10-16-18/h6-12,17H,1-5H2
InChIKeyAMVIBUGQTDGHIA-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
CID 60927914
4-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1,4-diamine
CID 79730964
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862721
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
CID 86214626
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 25499358
N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941768
2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide
CID 64822786
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]azepan-4-amine
CID 103981155
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62708772

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline (CID 54862655) is N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline is c1ncn(-c2ccc(NC3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is AMVIBUGQTDGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-11-15-10-16-18/h6-12,17H,1-5H2.
What are the key properties of N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline?
N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 242.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 54862655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).