[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

C7H8ClN7O — CID 80900839

IUPAC[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C7H8ClN7O/c1-16-7-12-5(14-9)11-6(13-7)15-3-4(8)2-10-15/h2-3H,9H2,1H3,(H,11,12,13,14)
InChIKeyBDYLLTKEJTYEFM-UHFFFAOYSA-N
MW241.64 g/mol
LogP0.00
Rot. Bonds3

About [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80900839) has the molecular formula C7H8ClN7O and a molecular weight of 241.64 g/mol. Its IUPAC name is [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80900839
Molecular FormulaC7H8ClN7O
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C7H8ClN7O/c1-16-7-12-5(14-9)11-6(13-7)15-3-4(8)2-10-15/h2-3H,9H2,1H3,(H,11,12,13,14)
InChIKeyBDYLLTKEJTYEFM-UHFFFAOYSA-N
XLogP0.00
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 50.00
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-(4-methylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901681
[4-(3,5-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80919855
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide
CID 80902696
[4-(4-chloro-3-methylpyrazol-1-yl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80903936
4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857845
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
[4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927925

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80900839) is [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(-n2cc(Cl)cn2)n1.
What is the InChIKey of [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is BDYLLTKEJTYEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN7O/c1-16-7-12-5(14-9)11-6(13-7)15-3-4(8)2-10-15/h2-3H,9H2,1H3,(H,11,12,13,14).
What are the key properties of [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 241.64 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloropyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).