(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene

C13H12N6 — CID 11265235

IUPAC(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
SMILESCCc1c(/N=N/c2ccccc2)cnc2ncnn12
InChIInChI=1S/C13H12N6/c1-2-12-11(8-14-13-15-9-16-19(12)13)18-17-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b18-17+
InChIKeyREDSQDKSHCVVPS-ISLYRVAYSA-N
MW252.28 g/mol
LogP3.10
Rot. Bonds3

About (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene

(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene (PubChem CID 11265235) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene.

Molecular Properties

Compound Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
PubChem CID11265235
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
SMILESCCc1c(/N=N/c2ccccc2)cnc2ncnn12
InChIInChI=1S/C13H12N6/c1-2-12-11(8-14-13-15-9-16-19(12)13)18-17-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b18-17+
InChIKeyREDSQDKSHCVVPS-ISLYRVAYSA-N
XLogP3.10
TPSA67.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene?
The IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene (CID 11265235) is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene.
What is the SMILES notation for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene?
The canonical SMILES for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene is CCc1c(/N=N/c2ccccc2)cnc2ncnn12.
What is the InChIKey of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene?
The InChIKey is REDSQDKSHCVVPS-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H12N6/c1-2-12-11(8-14-13-15-9-16-19(12)13)18-17-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b18-17+.
What are the key properties of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene?
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene has a molecular weight of 252.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene is sourced from PubChem (CID 11265235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).