N-[phenyl(2H-tetrazol-5-yl)methyl]aniline

C14H13N5 — CID 151383687

IUPACN-[phenyl(2H-tetrazol-5-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-11(8-4-1)13(14-16-18-19-17-14)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17,18,19)
InChIKeyOSYOOGBLGALNGG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.40
Rot. Bonds4

About N-[phenyl(2H-tetrazol-5-yl)methyl]aniline

N-[phenyl(2H-tetrazol-5-yl)methyl]aniline (PubChem CID 151383687) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[phenyl(2H-tetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound NameN-[phenyl(2H-tetrazol-5-yl)methyl]aniline
PubChem CID151383687
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC NameN-[phenyl(2H-tetrazol-5-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-11(8-4-1)13(14-16-18-19-17-14)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17,18,19)
InChIKeyOSYOOGBLGALNGG-UHFFFAOYSA-N
XLogP2.40
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The IUPAC name of N-[phenyl(2H-tetrazol-5-yl)methyl]aniline (CID 151383687) is N-[phenyl(2H-tetrazol-5-yl)methyl]aniline.
What is the SMILES notation for N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The canonical SMILES for N-[phenyl(2H-tetrazol-5-yl)methyl]aniline is c1ccc(NC(c2ccccc2)c2nn[nH]n2)cc1.
What is the InChIKey of N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The InChIKey is OSYOOGBLGALNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-3-7-11(8-4-1)13(14-16-18-19-17-14)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17,18,19).
What are the key properties of N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
N-[phenyl(2H-tetrazol-5-yl)methyl]aniline has a molecular weight of 251.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(2H-tetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 151383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).