5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine

C15H26N8 — CID 12661889

IUPAC5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine
SMILESCCCCCCc1nc(Nc2nc(C)c(CC)c(NN)n2)n[nH]1
InChIInChI=1S/C15H26N8/c1-4-6-7-8-9-12-18-15(23-22-12)20-14-17-10(3)11(5-2)13(19-14)21-16/h4-9,16H2,1-3H3,(H3,17,18,19,20,21,22,23)
InChIKeyVDSFNWMSSBBHIZ-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.62
Rot. Bonds9

About 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine

5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine (PubChem CID 12661889) has the molecular formula C15H26N8 and a molecular weight of 318.43 g/mol. Its IUPAC name is 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine
PubChem CID12661889
Molecular FormulaC15H26N8
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC Name5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine
SMILESCCCCCCc1nc(Nc2nc(C)c(CC)c(NN)n2)n[nH]1
InChIInChI=1S/C15H26N8/c1-4-6-7-8-9-12-18-15(23-22-12)20-14-17-10(3)11(5-2)13(19-14)21-16/h4-9,16H2,1-3H3,(H3,17,18,19,20,21,22,23)
InChIKeyVDSFNWMSSBBHIZ-UHFFFAOYSA-N
XLogP2.62
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine (CID 12661889) is 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine is CCCCCCc1nc(Nc2nc(C)c(CC)c(NN)n2)n[nH]1.
What is the InChIKey of 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine?
The InChIKey is VDSFNWMSSBBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N8/c1-4-6-7-8-9-12-18-15(23-22-12)20-14-17-10(3)11(5-2)13(19-14)21-16/h4-9,16H2,1-3H3,(H3,17,18,19,20,21,22,23).
What are the key properties of 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine?
5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine has a molecular weight of 318.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 12661889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).