(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine

C6H8N6 — CID 146037674

IUPAC(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine
SMILESN/N=C1\NN=CCn2nccc21
InChIInChI=1S/C6H8N6/c7-10-6-5-1-2-9-12(5)4-3-8-11-6/h1-3H,4,7H2,(H,10,11)
InChIKeyRLFSFIKKEZKJNT-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.91
Rot. Bonds

About (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine

(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine (PubChem CID 146037674) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine.

Molecular Properties

Compound Name(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine
PubChem CID146037674
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine
SMILESN/N=C1\NN=CCn2nccc21
InChIInChI=1S/C6H8N6/c7-10-6-5-1-2-9-12(5)4-3-8-11-6/h1-3H,4,7H2,(H,10,11)
InChIKeyRLFSFIKKEZKJNT-UHFFFAOYSA-N
XLogP-0.91
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine?
The IUPAC name of (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine (CID 146037674) is (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine.
What is the SMILES notation for (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine?
The canonical SMILES for (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine is N/N=C1\NN=CCn2nccc21.
What is the InChIKey of (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine?
The InChIKey is RLFSFIKKEZKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c7-10-6-5-1-2-9-12(5)4-3-8-11-6/h1-3H,4,7H2,(H,10,11).
What are the key properties of (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine?
(Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine has a molecular weight of 164.17 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,8-dihydropyrazolo[5,1-d][1,2,5]triazepin-4-ylidenehydrazine is sourced from PubChem (CID 146037674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).