N-cyclopentyl-2-phenylbenzotriazol-5-amine

C17H18N4 — CID 163367332

IUPACN-cyclopentyl-2-phenylbenzotriazol-5-amine
SMILESc1ccc(-n2nc3ccc(NC4CCCC4)cc3n2)cc1
InChIInChI=1S/C17H18N4/c1-2-8-15(9-3-1)21-19-16-11-10-14(12-17(16)20-21)18-13-6-4-5-7-13/h1-3,8-13,18H,4-7H2
InChIKeyUDNSEUMFYMIDGX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds3

About N-cyclopentyl-2-phenylbenzotriazol-5-amine

N-cyclopentyl-2-phenylbenzotriazol-5-amine (PubChem CID 163367332) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopentyl-2-phenylbenzotriazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-phenylbenzotriazol-5-amine
PubChem CID163367332
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-cyclopentyl-2-phenylbenzotriazol-5-amine
SMILESc1ccc(-n2nc3ccc(NC4CCCC4)cc3n2)cc1
InChIInChI=1S/C17H18N4/c1-2-8-15(9-3-1)21-19-16-11-10-14(12-17(16)20-21)18-13-6-4-5-7-13/h1-3,8-13,18H,4-7H2
InChIKeyUDNSEUMFYMIDGX-UHFFFAOYSA-N
XLogP3.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-phenylbenzotriazol-5-amine?
The IUPAC name of N-cyclopentyl-2-phenylbenzotriazol-5-amine (CID 163367332) is N-cyclopentyl-2-phenylbenzotriazol-5-amine.
What is the SMILES notation for N-cyclopentyl-2-phenylbenzotriazol-5-amine?
The canonical SMILES for N-cyclopentyl-2-phenylbenzotriazol-5-amine is c1ccc(-n2nc3ccc(NC4CCCC4)cc3n2)cc1.
What is the InChIKey of N-cyclopentyl-2-phenylbenzotriazol-5-amine?
The InChIKey is UDNSEUMFYMIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-8-15(9-3-1)21-19-16-11-10-14(12-17(16)20-21)18-13-6-4-5-7-13/h1-3,8-13,18H,4-7H2.
What are the key properties of N-cyclopentyl-2-phenylbenzotriazol-5-amine?
N-cyclopentyl-2-phenylbenzotriazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-phenylbenzotriazol-5-amine is sourced from PubChem (CID 163367332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).