5-(1-butyltetrazol-5-yl)benzene-1,3-diamine

C11H16N6 — CID 61352271

IUPAC5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
SMILESCCCCn1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C11H16N6/c1-2-3-4-17-11(14-15-16-17)8-5-9(12)7-10(13)6-8/h5-7H,2-4,12-13H2,1H3
InChIKeyHLJTXOZCUZECQX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.30
Rot. Bonds4

About 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine

5-(1-butyltetrazol-5-yl)benzene-1,3-diamine (PubChem CID 61352271) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
PubChem CID61352271
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
SMILESCCCCn1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C11H16N6/c1-2-3-4-17-11(14-15-16-17)8-5-9(12)7-10(13)6-8/h5-7H,2-4,12-13H2,1H3
InChIKeyHLJTXOZCUZECQX-UHFFFAOYSA-N
XLogP1.30
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine?
The IUPAC name of 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine (CID 61352271) is 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine is CCCCn1nnnc1-c1cc(N)cc(N)c1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine?
The InChIKey is HLJTXOZCUZECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-3-4-17-11(14-15-16-17)8-5-9(12)7-10(13)6-8/h5-7H,2-4,12-13H2,1H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine?
5-(1-butyltetrazol-5-yl)benzene-1,3-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 61352271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).