3-N-iminopropanediimidamide

C3H7N5 — CID 155204455

IUPAC3-N-iminopropanediimidamide
SMILES[H]/N=C(\N)CC(=N/[H])/N=N/[H]
InChIInChI=1S/C3H7N5/c4-2(5)1-3(6)8-7/h6-7H,1H2,(H3,4,5)/b6-3-,8-7+
InChIKeyGPTVTTVNLFECEP-NEEAAVDFSA-N
MW113.12 g/mol
LogP0.32
Rot. Bonds2

About 3-N-iminopropanediimidamide

3-N-iminopropanediimidamide (PubChem CID 155204455) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-N-iminopropanediimidamide.

Molecular Properties

Compound Name3-N-iminopropanediimidamide
PubChem CID155204455
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name3-N-iminopropanediimidamide
SMILES[H]/N=C(\N)CC(=N/[H])/N=N/[H]
InChIInChI=1S/C3H7N5/c4-2(5)1-3(6)8-7/h6-7H,1H2,(H3,4,5)/b6-3-,8-7+
InChIKeyGPTVTTVNLFECEP-NEEAAVDFSA-N
XLogP0.32
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 3-N-iminopropanediimidamide?
The IUPAC name of 3-N-iminopropanediimidamide (CID 155204455) is 3-N-iminopropanediimidamide.
What is the SMILES notation for 3-N-iminopropanediimidamide?
The canonical SMILES for 3-N-iminopropanediimidamide is [H]/N=C(\N)CC(=N/[H])/N=N/[H].
What is the InChIKey of 3-N-iminopropanediimidamide?
The InChIKey is GPTVTTVNLFECEP-NEEAAVDFSA-N. The full InChI is InChI=1S/C3H7N5/c4-2(5)1-3(6)8-7/h6-7H,1H2,(H3,4,5)/b6-3-,8-7+.
What are the key properties of 3-N-iminopropanediimidamide?
3-N-iminopropanediimidamide has a molecular weight of 113.12 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-iminopropanediimidamide is sourced from PubChem (CID 155204455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).