4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine

C6H7N9 — CID 135744096

IUPAC4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1nccnn1
InChIInChI=1S/C6H7N9/c7-4-3(5(8)13-12-4)11-15-6-9-1-2-10-14-6/h1-2H,(H5,7,8,12,13)/b15-11+
InChIKeyBPNMWGLLHFFYQU-RVDMUPIBSA-N
MW205.19 g/mol
LogP0.17
Rot. Bonds2

About 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine

4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine (PubChem CID 135744096) has the molecular formula C6H7N9 and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine
PubChem CID135744096
Molecular FormulaC6H7N9
Molecular Weight205.19 g/mol
Exact Mass205.08
IUPAC Name4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1nccnn1
InChIInChI=1S/C6H7N9/c7-4-3(5(8)13-12-4)11-15-6-9-1-2-10-14-6/h1-2H,(H5,7,8,12,13)/b15-11+
InChIKeyBPNMWGLLHFFYQU-RVDMUPIBSA-N
XLogP0.17
TPSA144.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.17
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-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine (CID 135744096) is 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1nccnn1.
What is the InChIKey of 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine?
The InChIKey is BPNMWGLLHFFYQU-RVDMUPIBSA-N. The full InChI is InChI=1S/C6H7N9/c7-4-3(5(8)13-12-4)11-15-6-9-1-2-10-14-6/h1-2H,(H5,7,8,12,13)/b15-11+.
What are the key properties of 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine?
4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine has a molecular weight of 205.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).