(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide

C11H10ClN7 — CID 172976488

IUPAC(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc2cn(C)nc2cc1Cl
InChIInChI=1S/C11H10ClN7/c1-19-5-6-2-9(7(12)3-8(6)18-19)16-17-10(4-13)11(14)15/h2-3,5,16H,1H3,(H3,14,15)/b17-10+
InChIKeyUBQWMAAUGKYLFE-LICLKQGHSA-N
MW275.70 g/mol
LogP1.45
Rot. Bonds3

About (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide (PubChem CID 172976488) has the molecular formula C11H10ClN7 and a molecular weight of 275.70 g/mol. Its IUPAC name is (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide
PubChem CID172976488
Molecular FormulaC11H10ClN7
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc2cn(C)nc2cc1Cl
InChIInChI=1S/C11H10ClN7/c1-19-5-6-2-9(7(12)3-8(6)18-19)16-17-10(4-13)11(14)15/h2-3,5,16H,1H3,(H3,14,15)/b17-10+
InChIKeyUBQWMAAUGKYLFE-LICLKQGHSA-N
XLogP1.45
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.45
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-(5-chloro-2,4-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931806
(1Z)-2-amino-N-(2-chloro-5-fluoro-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172978153
(1Z)-2-amino-N-(4-tert-butyl-2-chloroanilino)-2-iminoethanimidoyl cyanide
CID 172976470
(1Z)-2-amino-N-(2-chloro-5-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172931799
(1Z)-2-amino-N-(5-chloro-2,3-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980243
(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172979173
(1Z)-2-amino-N-[2-chloro-5-(methylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976257
(1Z)-2-amino-N-(2-chloro-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172931563
(1Z)-2-amino-N-(2,4-dichloro-6-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931915
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-N-(3-bromo-2-chloro-5-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172979744
(1Z)-2-amino-N-(4-chloro-2-cyano-5-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979926

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide (CID 172976488) is (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc2cn(C)nc2cc1Cl.
What is the InChIKey of (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide?
The InChIKey is UBQWMAAUGKYLFE-LICLKQGHSA-N. The full InChI is InChI=1S/C11H10ClN7/c1-19-5-6-2-9(7(12)3-8(6)18-19)16-17-10(4-13)11(14)15/h2-3,5,16H,1H3,(H3,14,15)/b17-10+.
What are the key properties of (1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide has a molecular weight of 275.70 g/mol, XLogP of 1.45, 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-[(6-chloro-2-methylindazol-5-yl)amino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172976488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).