N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine

C16H17N5 — CID 9250575

IUPACN-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCc1ccccc1CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-13-7-5-6-8-14(13)11-12-17-16-18-19-20-21(16)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3,(H,17,18,20)
InChIKeyQPWBUKPNFPOZDZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine

N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 9250575) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID9250575
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCc1ccccc1CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-13-7-5-6-8-14(13)11-12-17-16-18-19-20-21(16)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3,(H,17,18,20)
InChIKeyQPWBUKPNFPOZDZ-UHFFFAOYSA-N
XLogP2.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine (CID 9250575) is N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine is Cc1ccccc1CCNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is QPWBUKPNFPOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-7-5-6-8-14(13)11-12-17-16-18-19-20-21(16)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3,(H,17,18,20).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 279.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9250575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).