1-N',3-N'-dihydroxypropanediimidamide

C3H8N4O2 — CID 59593648

IUPAC1-N',3-N'-dihydroxypropanediimidamide
SMILESNC(C/C(N)=N/O)=NO
InChIInChI=1S/C3H8N4O2/c4-2(6-8)1-3(5)7-9/h8-9H,1H2,(H2,4,6)(H2,5,7)
InChIKeyUSZCEMAXQGZEEK-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.13
Rot. Bonds2

About 1-N',3-N'-dihydroxypropanediimidamide

1-N',3-N'-dihydroxypropanediimidamide (PubChem CID 59593648) has the molecular formula C3H8N4O2 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1-N',3-N'-dihydroxypropanediimidamide.

Molecular Properties

Compound Name1-N',3-N'-dihydroxypropanediimidamide
PubChem CID59593648
Molecular FormulaC3H8N4O2
Molecular Weight132.12 g/mol
Exact Mass132.06
IUPAC Name1-N',3-N'-dihydroxypropanediimidamide
SMILESNC(C/C(N)=N/O)=NO
InChIInChI=1S/C3H8N4O2/c4-2(6-8)1-3(5)7-9/h8-9H,1H2,(H2,4,6)(H2,5,7)
InChIKeyUSZCEMAXQGZEEK-UHFFFAOYSA-N
XLogP-1.13
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259453
azanide;tris(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259455
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
N'-hydroxy-3-oxobutanimidamide
CID 23339865
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
CID 172963608
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
2-(tert-butylamino)-N'-hydroxyethanimidamide
CID 60718842
CID 76559623
CID 76559623
N'-hydroxybut-3-enimidamide
CID 4695497

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-dihydroxypropanediimidamide?
The IUPAC name of 1-N',3-N'-dihydroxypropanediimidamide (CID 59593648) is 1-N',3-N'-dihydroxypropanediimidamide.
What is the SMILES notation for 1-N',3-N'-dihydroxypropanediimidamide?
The canonical SMILES for 1-N',3-N'-dihydroxypropanediimidamide is NC(C/C(N)=N/O)=NO.
What is the InChIKey of 1-N',3-N'-dihydroxypropanediimidamide?
The InChIKey is USZCEMAXQGZEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2/c4-2(6-8)1-3(5)7-9/h8-9H,1H2,(H2,4,6)(H2,5,7).
What are the key properties of 1-N',3-N'-dihydroxypropanediimidamide?
1-N',3-N'-dihydroxypropanediimidamide has a molecular weight of 132.12 g/mol, XLogP of -1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-dihydroxypropanediimidamide is sourced from PubChem (CID 59593648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).