3-imino-1-nitroprop-1-ene-1,2-diamine

C3H6N4O2 — CID 173484324

IUPAC3-imino-1-nitroprop-1-ene-1,2-diamine
SMILES[H]/N=C/C(N)=C(N)[N+](=O)[O-]
InChIInChI=1S/C3H6N4O2/c4-1-2(5)3(6)7(8)9/h1,4H,5-6H2/b3-2?,4-1+
InChIKeyKQNZATCUNFPPMJ-FDEIINACSA-N
MW130.11 g/mol
LogP-1.00
Rot. Bonds2

About 3-imino-1-nitroprop-1-ene-1,2-diamine

3-imino-1-nitroprop-1-ene-1,2-diamine (PubChem CID 173484324) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 3-imino-1-nitroprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name3-imino-1-nitroprop-1-ene-1,2-diamine
PubChem CID173484324
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name3-imino-1-nitroprop-1-ene-1,2-diamine
SMILES[H]/N=C/C(N)=C(N)[N+](=O)[O-]
InChIInChI=1S/C3H6N4O2/c4-1-2(5)3(6)7(8)9/h1,4H,5-6H2/b3-2?,4-1+
InChIKeyKQNZATCUNFPPMJ-FDEIINACSA-N
XLogP-1.00
TPSA119.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-N-oxido-N-oxomethanimidamide
CID 54476770
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
amino nitrate;guanidine
CID 87093007
(E)-4-amino-2-imino-4-nitrobut-3-en-1-ol
CID 166571988
[amino(carbamimidoyloxy)methylidene]azanium nitrate
CID 90476435
carbamimidate;palladium;dichloride
CID 102060497
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine
CID 142650598
(Z)-3-amino-3-methoxy-2-nitroprop-2-enimidoyl chloride
CID 136611783
1-nitroethanimine
CID 54158786
6,6-dinitrohexa-3,5-dienimidamide
CID 91235769
iodo nitrate
CID 13406959

Frequently Asked Questions

What is the IUPAC name of 3-imino-1-nitroprop-1-ene-1,2-diamine?
The IUPAC name of 3-imino-1-nitroprop-1-ene-1,2-diamine (CID 173484324) is 3-imino-1-nitroprop-1-ene-1,2-diamine.
What is the SMILES notation for 3-imino-1-nitroprop-1-ene-1,2-diamine?
The canonical SMILES for 3-imino-1-nitroprop-1-ene-1,2-diamine is [H]/N=C/C(N)=C(N)[N+](=O)[O-].
What is the InChIKey of 3-imino-1-nitroprop-1-ene-1,2-diamine?
The InChIKey is KQNZATCUNFPPMJ-FDEIINACSA-N. The full InChI is InChI=1S/C3H6N4O2/c4-1-2(5)3(6)7(8)9/h1,4H,5-6H2/b3-2?,4-1+.
What are the key properties of 3-imino-1-nitroprop-1-ene-1,2-diamine?
3-imino-1-nitroprop-1-ene-1,2-diamine has a molecular weight of 130.11 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-nitroprop-1-ene-1,2-diamine is sourced from PubChem (CID 173484324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).