[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

C11H16ClN7O — CID 80901059

IUPAC[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C11H16ClN7O/c1-4-5-20-11-15-9(17-13)14-10(16-11)19-7(3)8(12)6(2)18-19/h4-5,13H2,1-3H3,(H,14,15,16,17)
InChIKeyCOPITZUMASBAOL-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.40
Rot. Bonds5

About [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80901059) has the molecular formula C11H16ClN7O and a molecular weight of 297.75 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80901059
Molecular FormulaC11H16ClN7O
Molecular Weight297.75 g/mol
Exact Mass297.11
IUPAC Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C11H16ClN7O/c1-4-5-20-11-15-9(17-13)14-10(16-11)19-7(3)8(12)6(2)18-19/h4-5,13H2,1-3H3,(H,14,15,16,17)
InChIKeyCOPITZUMASBAOL-UHFFFAOYSA-N
XLogP1.40
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80903936
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 80901059) is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is COPITZUMASBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7O/c1-4-5-20-11-15-9(17-13)14-10(16-11)19-7(3)8(12)6(2)18-19/h4-5,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 297.75 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80901059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).