(Z)-2-amino-3-(ethenylamino)but-2-enimidamide

C6H12N4 — CID 137289382

IUPAC(Z)-2-amino-3-(ethenylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N)=C(\C)NC=C
InChIInChI=1S/C6H12N4/c1-3-10-4(2)5(7)6(8)9/h3,10H,1,7H2,2H3,(H3,8,9)/b5-4-
InChIKeySLLOGTSVCSDPAH-PLNGDYQASA-N
MW140.19 g/mol
LogP-0.15
Rot. Bonds3

About (Z)-2-amino-3-(ethenylamino)but-2-enimidamide

(Z)-2-amino-3-(ethenylamino)but-2-enimidamide (PubChem CID 137289382) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-2-amino-3-(ethenylamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-amino-3-(ethenylamino)but-2-enimidamide
PubChem CID137289382
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(Z)-2-amino-3-(ethenylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N)=C(\C)NC=C
InChIInChI=1S/C6H12N4/c1-3-10-4(2)5(7)6(8)9/h3,10H,1,7H2,2H3,(H3,8,9)/b5-4-
InChIKeySLLOGTSVCSDPAH-PLNGDYQASA-N
XLogP-0.15
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.15
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)but-2-enimidamide?
The IUPAC name of (Z)-2-amino-3-(ethenylamino)but-2-enimidamide (CID 137289382) is (Z)-2-amino-3-(ethenylamino)but-2-enimidamide.
What is the SMILES notation for (Z)-2-amino-3-(ethenylamino)but-2-enimidamide?
The canonical SMILES for (Z)-2-amino-3-(ethenylamino)but-2-enimidamide is [H]/N=C(N)/C(N)=C(\C)NC=C.
What is the InChIKey of (Z)-2-amino-3-(ethenylamino)but-2-enimidamide?
The InChIKey is SLLOGTSVCSDPAH-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N4/c1-3-10-4(2)5(7)6(8)9/h3,10H,1,7H2,2H3,(H3,8,9)/b5-4-.
What are the key properties of (Z)-2-amino-3-(ethenylamino)but-2-enimidamide?
(Z)-2-amino-3-(ethenylamino)but-2-enimidamide has a molecular weight of 140.19 g/mol, XLogP of -0.15, 3 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)but-2-enimidamide is sourced from PubChem (CID 137289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).