N,N'-diamino-1H-pyrazole-5-carboximidamide

C4H8N6 — CID 136657484

IUPACN,N'-diamino-1H-pyrazole-5-carboximidamide
SMILESNN=C(NN)c1ccn[nH]1
InChIInChI=1S/C4H8N6/c5-8-4(9-6)3-1-2-7-10-3/h1-2H,5-6H2,(H,7,10)(H,8,9)
InChIKeyNOAOBNHCCJCVNM-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.51
Rot. Bonds1

About N,N'-diamino-1H-pyrazole-5-carboximidamide

N,N'-diamino-1H-pyrazole-5-carboximidamide (PubChem CID 136657484) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is N,N'-diamino-1H-pyrazole-5-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-1H-pyrazole-5-carboximidamide
PubChem CID136657484
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC NameN,N'-diamino-1H-pyrazole-5-carboximidamide
SMILESNN=C(NN)c1ccn[nH]1
InChIInChI=1S/C4H8N6/c5-8-4(9-6)3-1-2-7-10-3/h1-2H,5-6H2,(H,7,10)(H,8,9)
InChIKeyNOAOBNHCCJCVNM-UHFFFAOYSA-N
XLogP-1.51
TPSA105.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 N,N'-diamino-1H-pyrazole-5-carboximidamide?
The IUPAC name of N,N'-diamino-1H-pyrazole-5-carboximidamide (CID 136657484) is N,N'-diamino-1H-pyrazole-5-carboximidamide.
What is the SMILES notation for N,N'-diamino-1H-pyrazole-5-carboximidamide?
The canonical SMILES for N,N'-diamino-1H-pyrazole-5-carboximidamide is NN=C(NN)c1ccn[nH]1.
What is the InChIKey of N,N'-diamino-1H-pyrazole-5-carboximidamide?
The InChIKey is NOAOBNHCCJCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c5-8-4(9-6)3-1-2-7-10-3/h1-2H,5-6H2,(H,7,10)(H,8,9).
What are the key properties of N,N'-diamino-1H-pyrazole-5-carboximidamide?
N,N'-diamino-1H-pyrazole-5-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -1.51, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-1H-pyrazole-5-carboximidamide is sourced from PubChem (CID 136657484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).