N-phenyltetrazol-1-amine

C7H7N5 — CID 18671860

IUPACN-phenyltetrazol-1-amine
SMILESc1ccc(Nn2cnnn2)cc1
InChIInChI=1S/C7H7N5/c1-2-4-7(5-3-1)9-12-6-8-10-11-12/h1-6,9H
InChIKeyAYXRANNMPTXHLO-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.55
Rot. Bonds2

About N-phenyltetrazol-1-amine

N-phenyltetrazol-1-amine (PubChem CID 18671860) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is N-phenyltetrazol-1-amine.

Molecular Properties

Compound NameN-phenyltetrazol-1-amine
PubChem CID18671860
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC NameN-phenyltetrazol-1-amine
SMILESc1ccc(Nn2cnnn2)cc1
InChIInChI=1S/C7H7N5/c1-2-4-7(5-3-1)9-12-6-8-10-11-12/h1-6,9H
InChIKeyAYXRANNMPTXHLO-UHFFFAOYSA-N
XLogP0.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyltetrazol-1-amine?
The IUPAC name of N-phenyltetrazol-1-amine (CID 18671860) is N-phenyltetrazol-1-amine.
What is the SMILES notation for N-phenyltetrazol-1-amine?
The canonical SMILES for N-phenyltetrazol-1-amine is c1ccc(Nn2cnnn2)cc1.
What is the InChIKey of N-phenyltetrazol-1-amine?
The InChIKey is AYXRANNMPTXHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-2-4-7(5-3-1)9-12-6-8-10-11-12/h1-6,9H.
What are the key properties of N-phenyltetrazol-1-amine?
N-phenyltetrazol-1-amine has a molecular weight of 161.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyltetrazol-1-amine is sourced from PubChem (CID 18671860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).