[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine

C15H15N5 — CID 62125454

IUPAC[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5/c1-11-9-12(10-16)7-8-14(11)20-18-15(17-19-20)13-5-3-2-4-6-13/h2-9H,10,16H2,1H3
InChIKeyVFWFDORHMMZTJC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.10
Rot. Bonds3

About [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine

[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine (PubChem CID 62125454) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
PubChem CID62125454
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
SMILESCc1cc(CN)ccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5/c1-11-9-12(10-16)7-8-14(11)20-18-15(17-19-20)13-5-3-2-4-6-13/h2-9H,10,16H2,1H3
InChIKeyVFWFDORHMMZTJC-UHFFFAOYSA-N
XLogP2.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
CID 62293246
2-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 81159918
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 63078222
[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
CID 28965388
2-(2,3-dimethylphenyl)-5-phenyltetrazole
CID 54119212
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
2-[4-chloro-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 114862330
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
3-(difluoromethyl)-4-(5-phenyltetrazol-2-yl)aniline
CID 63735834
2-[2-(bromomethyl)phenyl]-5-phenyltetrazole
CID 107085646
1-[4-bromo-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 82953540

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine (CID 62125454) is [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine is Cc1cc(CN)ccc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The InChIKey is VFWFDORHMMZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-9-12(10-16)7-8-14(11)20-18-15(17-19-20)13-5-3-2-4-6-13/h2-9H,10,16H2,1H3.
What are the key properties of [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 62125454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).