4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

C10H13N7O2 — CID 135744090

IUPAC4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)c(OC)n1
InChIInChI=1S/C10H13N7O2/c1-18-6-4-3-5(10(13-6)19-2)14-15-7-8(11)16-17-9(7)12/h3-4H,1-2H3,(H5,11,12,16,17)/b15-14+
InChIKeyGSOTWRXVGPGNNL-CCEZHUSRSA-N
MW263.26 g/mol
LogP1.40
Rot. Bonds4

About 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135744090) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135744090
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)c(OC)n1
InChIInChI=1S/C10H13N7O2/c1-18-6-4-3-5(10(13-6)19-2)14-15-7-8(11)16-17-9(7)12/h3-4H,1-2H3,(H5,11,12,16,17)/b15-14+
InChIKeyGSOTWRXVGPGNNL-CCEZHUSRSA-N
XLogP1.40
TPSA136.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135744090) is 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is COc1ccc(/N=N/c2c(N)n[nH]c2N)c(OC)n1.
What is the InChIKey of 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is GSOTWRXVGPGNNL-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-18-6-4-3-5(10(13-6)19-2)14-15-7-8(11)16-17-9(7)12/h3-4H,1-2H3,(H5,11,12,16,17)/b15-14+.
What are the key properties of 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 263.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).