5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine

C15H23N5 — CID 167174911

IUPAC5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine
SMILESCCCCCCn1cc(-c2cnc(C(C)C)nc2)nn1
InChIInChI=1S/C15H23N5/c1-4-5-6-7-8-20-11-14(18-19-20)13-9-16-15(12(2)3)17-10-13/h9-12H,4-8H2,1-3H3
InChIKeyNYNQDHCZYCXYHF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds7

About 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine

5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine (PubChem CID 167174911) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine
PubChem CID167174911
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine
SMILESCCCCCCn1cc(-c2cnc(C(C)C)nc2)nn1
InChIInChI=1S/C15H23N5/c1-4-5-6-7-8-20-11-14(18-19-20)13-9-16-15(12(2)3)17-10-13/h9-12H,4-8H2,1-3H3
InChIKeyNYNQDHCZYCXYHF-UHFFFAOYSA-N
XLogP3.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
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 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine (CID 167174911) is 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine is CCCCCCn1cc(-c2cnc(C(C)C)nc2)nn1.
What is the InChIKey of 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine?
The InChIKey is NYNQDHCZYCXYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-5-6-7-8-20-11-14(18-19-20)13-9-16-15(12(2)3)17-10-13/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine?
5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine has a molecular weight of 273.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hexyltriazol-4-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 167174911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).