(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide

C7H13N5 — CID 137216661

IUPAC(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C(N)=C(\C)NC=C
InChIInChI=1S/C7H13N5/c1-3-11-5(2)6(9)7(10)12-4-8/h3-4,11H,1,9H2,2H3,(H3,8,10,12)/b6-5-
InChIKeyLAFXNZOPAGNUTG-WAYWQWQTSA-N
MW167.22 g/mol
LogP-0.13
Rot. Bonds4

About (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide

(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide (PubChem CID 137216661) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide
PubChem CID137216661
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C(N)=C(\C)NC=C
InChIInChI=1S/C7H13N5/c1-3-11-5(2)6(9)7(10)12-4-8/h3-4,11H,1,9H2,2H3,(H3,8,10,12)/b6-5-
InChIKeyLAFXNZOPAGNUTG-WAYWQWQTSA-N
XLogP-0.13
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide?
The IUPAC name of (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide (CID 137216661) is (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide.
What is the SMILES notation for (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide?
The canonical SMILES for (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide is [H]/N=C/N=C(N)/C(N)=C(\C)NC=C.
What is the InChIKey of (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide?
The InChIKey is LAFXNZOPAGNUTG-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-11-5(2)6(9)7(10)12-4-8/h3-4,11H,1,9H2,2H3,(H3,8,10,12)/b6-5-.
What are the key properties of (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide?
(Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide has a molecular weight of 167.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(ethenylamino)-N'-methanimidoylbut-2-enimidamide is sourced from PubChem (CID 137216661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).