(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide

C7H13N5 — CID 134462340

IUPAC(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide
SMILESC=C/N=C(N)/C(N)=C(\N)NC=C
InChIInChI=1S/C7H13N5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4,11H,1-2,8-9H2,(H2,10,12)/b6-5-
InChIKeyJYNGCNZBTCANTH-WAYWQWQTSA-N
MW167.22 g/mol
LogP-0.69
Rot. Bonds4

About (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide

(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide (PubChem CID 134462340) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide
PubChem CID134462340
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide
SMILESC=C/N=C(N)/C(N)=C(\N)NC=C
InChIInChI=1S/C7H13N5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4,11H,1-2,8-9H2,(H2,10,12)/b6-5-
InChIKeyJYNGCNZBTCANTH-WAYWQWQTSA-N
XLogP-0.69
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.69
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide?
The IUPAC name of (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide (CID 134462340) is (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide is C=C/N=C(N)/C(N)=C(\N)NC=C.
What is the InChIKey of (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide?
The InChIKey is JYNGCNZBTCANTH-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4,11H,1-2,8-9H2,(H2,10,12)/b6-5-.
What are the key properties of (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide?
(Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide has a molecular weight of 167.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diamino-N'-ethenyl-3-(ethenylamino)prop-2-enimidamide is sourced from PubChem (CID 134462340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).