1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide

C3H8N8 — CID 152539048

IUPAC1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide
SMILES[H]/N=N/C(CC(=NN)/N=N/[H])=NN
InChIInChI=1S/C3H8N8/c4-8-2(9-5)1-3(10-6)11-7/h4,6H,1,5,7H2/b8-4+,9-2?,10-6+,11-3?
InChIKeyYLDOHSNLEIWHFJ-GDJRANTQSA-N
MW156.15 g/mol
LogP-0.02
Rot. Bonds2

About 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide

1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide (PubChem CID 152539048) has the molecular formula C3H8N8 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide.

Molecular Properties

Compound Name1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide
PubChem CID152539048
Molecular FormulaC3H8N8
Molecular Weight156.15 g/mol
Exact Mass156.09
IUPAC Name1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide
SMILES[H]/N=N/C(CC(=NN)/N=N/[H])=NN
InChIInChI=1S/C3H8N8/c4-8-2(9-5)1-3(10-6)11-7/h4,6H,1,5,7H2/b8-4+,9-2?,10-6+,11-3?
InChIKeyYLDOHSNLEIWHFJ-GDJRANTQSA-N
XLogP-0.02
TPSA149.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

selenocarbazone
CID 88829334
3-formazan-3-ylsulfanylpropyl N'-amino-N-iminocarbamimidothioate
CID 174430826
3-N-iminopropanediimidamide
CID 155204455
2-hydrazinyl-N-iminoacetamide
CID 126547584
3-[[4-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]sulfanylbenzoyl]amino]benzoic acid
CID 172934400
hydrazinyl N-iminocarbamate
CID 174428124
1,3-diiminothiourea
CID 23135884
N'-amino-N-iminobenzenecarboximidamide;methane
CID 143158063
N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide
CID 140637142
[2-(formazan-3-ylsulfanylmethyl)-4-methyl-2-(2-methylpropyl)pentyl] N'-amino-N-iminocarbamimidothioate
CID 174375098
O-methyl N-iminocarbamothioate
CID 141030958
4-(hydrazinecarbonyl)-N-iminobenzamide
CID 121440932

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide?
The IUPAC name of 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide (CID 152539048) is 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide.
What is the SMILES notation for 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide?
The canonical SMILES for 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide is [H]/N=N/C(CC(=NN)/N=N/[H])=NN.
What is the InChIKey of 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide?
The InChIKey is YLDOHSNLEIWHFJ-GDJRANTQSA-N. The full InChI is InChI=1S/C3H8N8/c4-8-2(9-5)1-3(10-6)11-7/h4,6H,1,5,7H2/b8-4+,9-2?,10-6+,11-3?.
What are the key properties of 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide?
1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide has a molecular weight of 156.15 g/mol, XLogP of -0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-diamino-1-N,3-N-diiminopropanediimidamide is sourced from PubChem (CID 152539048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).