N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine

C16H22N4 — CID 60927914

IUPACN-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
SMILESc1ncn(-c2ccc(NC3CCCCCCC3)cc2)n1
InChIInChI=1S/C16H22N4/c1-2-4-6-14(7-5-3-1)19-15-8-10-16(11-9-15)20-13-17-12-18-20/h8-14,19H,1-7H2
InChIKeyRLWZGESOABEYPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.79
Rot. Bonds3

About N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine

N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine (PubChem CID 60927914) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
PubChem CID60927914
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
SMILESc1ncn(-c2ccc(NC3CCCCCCC3)cc2)n1
InChIInChI=1S/C16H22N4/c1-2-4-6-14(7-5-3-1)19-15-8-10-16(11-9-15)20-13-17-12-18-20/h8-14,19H,1-7H2
InChIKeyRLWZGESOABEYPP-UHFFFAOYSA-N
XLogP3.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
CID 54862655
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-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 66163753

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine (CID 60927914) is N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine is c1ncn(-c2ccc(NC3CCCCCCC3)cc2)n1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine?
The InChIKey is RLWZGESOABEYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-4-6-14(7-5-3-1)19-15-8-10-16(11-9-15)20-13-17-12-18-20/h8-14,19H,1-7H2.
What are the key properties of N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine?
N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine has a molecular weight of 270.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine is sourced from PubChem (CID 60927914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).