2-benzyltetrazol-5-amine

C8H9N5 — CID 562401

IUPAC2-benzyltetrazol-5-amine
SMILESNc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C8H9N5/c9-8-10-12-13(11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11)
InChIKeySYWWVUJXAAINHI-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.30
Rot. Bonds2

About 2-benzyltetrazol-5-amine

2-benzyltetrazol-5-amine (PubChem CID 562401) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-benzyltetrazol-5-amine.

Molecular Properties

Compound Name2-benzyltetrazol-5-amine
PubChem CID562401
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-benzyltetrazol-5-amine
SMILESNc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C8H9N5/c9-8-10-12-13(11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11)
InChIKeySYWWVUJXAAINHI-UHFFFAOYSA-N
XLogP0.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-1H-1,2,3,4-tetrazol-5-amine
CID 563074
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-benzyl-N-(benzylideneamino)tetrazol-5-amine
CID 297256
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
N~1~-[2-(trifluoromethyl)benzyl]-1H-tetrazole-1,5-diamine
CID 4727833
2-(Propen-3-yl)-5-phenyltetrazole
CID 329757
2-Benzyl-2H-tetrazole
CID 14782917
6-(5-Phenyl-2H-tetrazol-2-yl)-1-hexanamine
CID 64292327
2-benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine
CID 9562683
2-benzyl-5-ethynyl-2H-1,2,3,4-tetrazole
CID 146155453
2-(alpha,alpha-Dimethylbenzyl)tetrazole
CID 19388301
4-(2-Tetrazolyl)methyl-benzonitrile
CID 23365331

Frequently Asked Questions

What is the IUPAC name of 2-benzyltetrazol-5-amine?
The IUPAC name of 2-benzyltetrazol-5-amine (CID 562401) is 2-benzyltetrazol-5-amine.
What is the SMILES notation for 2-benzyltetrazol-5-amine?
The canonical SMILES for 2-benzyltetrazol-5-amine is Nc1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyltetrazol-5-amine?
The InChIKey is SYWWVUJXAAINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-8-10-12-13(11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11).
What are the key properties of 2-benzyltetrazol-5-amine?
2-benzyltetrazol-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyltetrazol-5-amine is sourced from PubChem (CID 562401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).