N-butyl-1-phenyltetrazol-5-amine

C11H15N5 — CID 12678651

IUPACN-butyl-1-phenyltetrazol-5-amine
SMILESCCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5/c1-2-3-9-12-11-13-14-15-16(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13,15)
InChIKeyOUHFUMHBQRIHIV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.87
Rot. Bonds5

About N-butyl-1-phenyltetrazol-5-amine

N-butyl-1-phenyltetrazol-5-amine (PubChem CID 12678651) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-butyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-butyl-1-phenyltetrazol-5-amine
PubChem CID12678651
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-butyl-1-phenyltetrazol-5-amine
SMILESCCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5/c1-2-3-9-12-11-13-14-15-16(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13,15)
InChIKeyOUHFUMHBQRIHIV-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-butyl-1-phenyltetrazol-5-amine (CID 12678651) is N-butyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-butyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-butyl-1-phenyltetrazol-5-amine is CCCCNc1nnnn1-c1ccccc1.
What is the InChIKey of N-butyl-1-phenyltetrazol-5-amine?
The InChIKey is OUHFUMHBQRIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-3-9-12-11-13-14-15-16(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13,15).
What are the key properties of N-butyl-1-phenyltetrazol-5-amine?
N-butyl-1-phenyltetrazol-5-amine has a molecular weight of 217.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 12678651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).