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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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).