4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide

C6H10N8 — CID 6912511

IUPAC4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(/C=N/N=C(N)N)cn1
InChIInChI=1S/C6H10N8/c7-5(8)13-11-1-4-2-12-14(3-4)6(9)10/h1-3H,(H3,9,10)(H4,7,8,13)/b11-1+
InChIKeyKOFKQUDWSANUQA-QQDOKKFESA-N
MW194.20 g/mol
LogP-1.77
Rot. Bonds2

About 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide

4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide (PubChem CID 6912511) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide.

Molecular Properties

Compound Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide
PubChem CID6912511
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(/C=N/N=C(N)N)cn1
InChIInChI=1S/C6H10N8/c7-5(8)13-11-1-4-2-12-14(3-4)6(9)10/h1-3H,(H3,9,10)(H4,7,8,13)/b11-1+
InChIKeyKOFKQUDWSANUQA-QQDOKKFESA-N
XLogP-1.77
TPSA144.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide?
The IUPAC name of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide (CID 6912511) is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide.
What is the SMILES notation for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide?
The canonical SMILES for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide is [H]/N=C(\N)n1cc(/C=N/N=C(N)N)cn1.
What is the InChIKey of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide?
The InChIKey is KOFKQUDWSANUQA-QQDOKKFESA-N. The full InChI is InChI=1S/C6H10N8/c7-5(8)13-11-1-4-2-12-14(3-4)6(9)10/h1-3H,(H3,9,10)(H4,7,8,13)/b11-1+.
What are the key properties of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide?
4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide has a molecular weight of 194.20 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazole-1-carboximidamide is sourced from PubChem (CID 6912511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).