N,1-dibutyltriazol-4-amine

C10H20N4 — CID 135273402

IUPACN,1-dibutyltriazol-4-amine
SMILESCCCCNc1cn(CCCC)nn1
InChIInChI=1S/C10H20N4/c1-3-5-7-11-10-9-14(13-12-10)8-6-4-2/h9,11H,3-8H2,1-2H3
InChIKeyIVGKCRWZXIOLFJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.29
Rot. Bonds7

About N,1-dibutyltriazol-4-amine

N,1-dibutyltriazol-4-amine (PubChem CID 135273402) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N,1-dibutyltriazol-4-amine.

Molecular Properties

Compound NameN,1-dibutyltriazol-4-amine
PubChem CID135273402
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN,1-dibutyltriazol-4-amine
SMILESCCCCNc1cn(CCCC)nn1
InChIInChI=1S/C10H20N4/c1-3-5-7-11-10-9-14(13-12-10)8-6-4-2/h9,11H,3-8H2,1-2H3
InChIKeyIVGKCRWZXIOLFJ-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,1-dibutyltriazol-4-amine?
The IUPAC name of N,1-dibutyltriazol-4-amine (CID 135273402) is N,1-dibutyltriazol-4-amine.
What is the SMILES notation for N,1-dibutyltriazol-4-amine?
The canonical SMILES for N,1-dibutyltriazol-4-amine is CCCCNc1cn(CCCC)nn1.
What is the InChIKey of N,1-dibutyltriazol-4-amine?
The InChIKey is IVGKCRWZXIOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-7-11-10-9-14(13-12-10)8-6-4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N,1-dibutyltriazol-4-amine?
N,1-dibutyltriazol-4-amine has a molecular weight of 196.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyltriazol-4-amine is sourced from PubChem (CID 135273402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).