1-phenyltetrazol-5-amine

C7H7N5 — CID 21640

IUPAC1-phenyltetrazol-5-amine
SMILESNc1nnnn1-c1ccccc1
InChIInChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)
InChIKeyULIDRMKBVYYVIQ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 1-phenyltetrazol-5-amine

1-phenyltetrazol-5-amine (PubChem CID 21640) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 1-phenyltetrazol-5-amine.

Molecular Properties

Compound Name1-phenyltetrazol-5-amine
PubChem CID21640
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name1-phenyltetrazol-5-amine
SMILESNc1nnnn1-c1ccccc1
InChIInChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)
InChIKeyULIDRMKBVYYVIQ-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyltetrazol-5-amine?
The IUPAC name of 1-phenyltetrazol-5-amine (CID 21640) is 1-phenyltetrazol-5-amine.
What is the SMILES notation for 1-phenyltetrazol-5-amine?
The canonical SMILES for 1-phenyltetrazol-5-amine is Nc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyltetrazol-5-amine?
The InChIKey is ULIDRMKBVYYVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11).
What are the key properties of 1-phenyltetrazol-5-amine?
1-phenyltetrazol-5-amine has a molecular weight of 161.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltetrazol-5-amine is sourced from PubChem (CID 21640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).