N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine

C16H22N4 — CID 10730786

IUPACN-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine
SMILESc1cnn(-c2ccc(CNC3CCCCCC3)cc2)n1
InChIInChI=1S/C16H22N4/c1-2-4-6-15(5-3-1)17-13-14-7-9-16(10-8-14)20-18-11-12-19-20/h7-12,15,17H,1-6,13H2
InChIKeyRFTFVMRMZRSDAW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.08
Rot. Bonds4

About N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine

N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine (PubChem CID 10730786) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine
PubChem CID10730786
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine
SMILESc1cnn(-c2ccc(CNC3CCCCCC3)cc2)n1
InChIInChI=1S/C16H22N4/c1-2-4-6-15(5-3-1)17-13-14-7-9-16(10-8-14)20-18-11-12-19-20/h7-12,15,17H,1-6,13H2
InChIKeyRFTFVMRMZRSDAW-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine?
The IUPAC name of N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine (CID 10730786) is N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine?
The canonical SMILES for N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine is c1cnn(-c2ccc(CNC3CCCCCC3)cc2)n1.
What is the InChIKey of N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine?
The InChIKey is RFTFVMRMZRSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-4-6-15(5-3-1)17-13-14-7-9-16(10-8-14)20-18-11-12-19-20/h7-12,15,17H,1-6,13H2.
What are the key properties of N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine?
N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine has a molecular weight of 270.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine is sourced from PubChem (CID 10730786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).