N-(diaminomethylidene)pyrazole-1-carboximidamide

C5H8N6 — CID 15168179

IUPACN-(diaminomethylidene)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)n1cccn1
InChIInChI=1S/C5H8N6/c6-4(7)10-5(8)11-3-1-2-9-11/h1-3H,(H5,6,7,8,10)
InChIKeyVDHLLGPGFUZTMK-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.06
Rot. Bonds

About N-(diaminomethylidene)pyrazole-1-carboximidamide

N-(diaminomethylidene)pyrazole-1-carboximidamide (PubChem CID 15168179) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is N-(diaminomethylidene)pyrazole-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)pyrazole-1-carboximidamide
PubChem CID15168179
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC NameN-(diaminomethylidene)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)n1cccn1
InChIInChI=1S/C5H8N6/c6-4(7)10-5(8)11-3-1-2-9-11/h1-3H,(H5,6,7,8,10)
InChIKeyVDHLLGPGFUZTMK-UHFFFAOYSA-N
XLogP-1.06
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)pyrazole-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)pyrazole-1-carboximidamide (CID 15168179) is N-(diaminomethylidene)pyrazole-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)pyrazole-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)pyrazole-1-carboximidamide is [H]/N=C(\N=C(N)N)n1cccn1.
What is the InChIKey of N-(diaminomethylidene)pyrazole-1-carboximidamide?
The InChIKey is VDHLLGPGFUZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-4(7)10-5(8)11-3-1-2-9-11/h1-3H,(H5,6,7,8,10).
What are the key properties of N-(diaminomethylidene)pyrazole-1-carboximidamide?
N-(diaminomethylidene)pyrazole-1-carboximidamide has a molecular weight of 152.16 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)pyrazole-1-carboximidamide is sourced from PubChem (CID 15168179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).