(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide

C11H10BrN7 — CID 172979558

IUPAC(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc2c(Br)nn(C)c12
InChIInChI=1S/C11H10BrN7/c1-19-9-6(10(12)18-19)3-2-4-7(9)16-17-8(5-13)11(14)15/h2-4,16H,1H3,(H3,14,15)/b17-8+
InChIKeyIXDKABBPZANCPD-CAOOACKPSA-N
MW320.15 g/mol
LogP1.56
Rot. Bonds3

About (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide (PubChem CID 172979558) has the molecular formula C11H10BrN7 and a molecular weight of 320.15 g/mol. Its IUPAC name is (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide
PubChem CID172979558
Molecular FormulaC11H10BrN7
Molecular Weight320.15 g/mol
Exact Mass319.02
IUPAC Name(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cccc2c(Br)nn(C)c12
InChIInChI=1S/C11H10BrN7/c1-19-9-6(10(12)18-19)3-2-4-7(9)16-17-8(5-13)11(14)15/h2-4,16H,1H3,(H3,14,15)/b17-8+
InChIKeyIXDKABBPZANCPD-CAOOACKPSA-N
XLogP1.56
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
2-[[(3-bromo-1-methylindazol-7-yl)amino]methylidene]propanedinitrile
CID 168544790
(1Z)-2-amino-N-(1-benzofuran-4-ylamino)-2-iminoethanimidoyl cyanide
CID 172979480
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(isoquinolin-5-ylamino)ethanimidoyl cyanide
CID 172931817
(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977053
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-(4-bromo-2-propan-2-ylanilino)-2-iminoethanimidoyl cyanide
CID 172976835
(1Z)-2-amino-2-imino-N-[3-(1-methylpyrazol-3-yl)anilino]ethanimidoyl cyanide
CID 172979894
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide (CID 172979558) is (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cccc2c(Br)nn(C)c12.
What is the InChIKey of (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide?
The InChIKey is IXDKABBPZANCPD-CAOOACKPSA-N. The full InChI is InChI=1S/C11H10BrN7/c1-19-9-6(10(12)18-19)3-2-4-7(9)16-17-8(5-13)11(14)15/h2-4,16H,1H3,(H3,14,15)/b17-8+.
What are the key properties of (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide has a molecular weight of 320.15 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172979558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).