(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide

C9H12N4 — CID 164589581

IUPAC(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide
SMILES[H]/N=C(N)/C=C\C(N)=C1\C=CC=CN1
InChIInChI=1S/C9H12N4/c10-7(4-5-9(11)12)8-3-1-2-6-13-8/h1-6,13H,10H2,(H3,11,12)/b5-4-,8-7+
InChIKeyHZIMZCPXBLSBKE-KXKKYDSASA-N
MW176.22 g/mol
LogP0.32
Rot. Bonds2

About (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide

(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide (PubChem CID 164589581) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide.

Molecular Properties

Compound Name(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide
PubChem CID164589581
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide
SMILES[H]/N=C(N)/C=C\C(N)=C1\C=CC=CN1
InChIInChI=1S/C9H12N4/c10-7(4-5-9(11)12)8-3-1-2-6-13-8/h1-6,13H,10H2,(H3,11,12)/b5-4-,8-7+
InChIKeyHZIMZCPXBLSBKE-KXKKYDSASA-N
XLogP0.32
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.32
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,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide?
The IUPAC name of (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide (CID 164589581) is (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide.
What is the SMILES notation for (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide?
The canonical SMILES for (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide is [H]/N=C(N)/C=C\C(N)=C1\C=CC=CN1.
What is the InChIKey of (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide?
The InChIKey is HZIMZCPXBLSBKE-KXKKYDSASA-N. The full InChI is InChI=1S/C9H12N4/c10-7(4-5-9(11)12)8-3-1-2-6-13-8/h1-6,13H,10H2,(H3,11,12)/b5-4-,8-7+.
What are the key properties of (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide?
(Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide has a molecular weight of 176.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-amino-4-(1H-pyridin-2-ylidene)but-2-enimidamide is sourced from PubChem (CID 164589581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).