N-benzyl-2H-tetrazol-5-amine

C8H9N5 — CID 561398

IUPACN-benzyl-2H-tetrazol-5-amine
SMILESc1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5/c1-2-4-7(5-3-1)6-9-8-10-12-13-11-8/h1-5H,6H2,(H2,9,10,11,12,13)
InChIKeyXONYMCKGFMQQFX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds3

About N-benzyl-2H-tetrazol-5-amine

N-benzyl-2H-tetrazol-5-amine (PubChem CID 561398) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-benzyl-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-2H-tetrazol-5-amine
PubChem CID561398
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-benzyl-2H-tetrazol-5-amine
SMILESc1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5/c1-2-4-7(5-3-1)6-9-8-10-12-13-11-8/h1-5H,6H2,(H2,9,10,11,12,13)
InChIKeyXONYMCKGFMQQFX-UHFFFAOYSA-N
XLogP0.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2H-tetrazol-5-amine?
The IUPAC name of N-benzyl-2H-tetrazol-5-amine (CID 561398) is N-benzyl-2H-tetrazol-5-amine.
What is the SMILES notation for N-benzyl-2H-tetrazol-5-amine?
The canonical SMILES for N-benzyl-2H-tetrazol-5-amine is c1ccc(CNc2nn[nH]n2)cc1.
What is the InChIKey of N-benzyl-2H-tetrazol-5-amine?
The InChIKey is XONYMCKGFMQQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-4-7(5-3-1)6-9-8-10-12-13-11-8/h1-5H,6H2,(H2,9,10,11,12,13).
What are the key properties of N-benzyl-2H-tetrazol-5-amine?
N-benzyl-2H-tetrazol-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2H-tetrazol-5-amine is sourced from PubChem (CID 561398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).