1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine

C18H21N5 — CID 9107188

IUPAC1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
SMILESCC(C)c1ccc(CCNc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H21N5/c1-14(2)16-10-8-15(9-11-16)12-13-19-18-20-21-22-23(18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20,22)
InChIKeyYUEHPFXFCJMEML-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.44
Rot. Bonds6

About 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine

1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine (PubChem CID 9107188) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
PubChem CID9107188
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
SMILESCC(C)c1ccc(CCNc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H21N5/c1-14(2)16-10-8-15(9-11-16)12-13-19-18-20-21-22-23(18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20,22)
InChIKeyYUEHPFXFCJMEML-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine (CID 9107188) is 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine is CC(C)c1ccc(CCNc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine?
The InChIKey is YUEHPFXFCJMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14(2)16-10-8-15(9-11-16)12-13-19-18-20-21-22-23(18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20,22).
What are the key properties of 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine?
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine has a molecular weight of 307.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 9107188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).