(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide

C11H11N9O — CID 172978506

IUPAC(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2cnnn2)c(OC)c1
InChIInChI=1S/C11H11N9O/c1-21-10-4-7(16-17-8(5-12)11(13)14)2-3-9(10)20-6-15-18-19-20/h2-4,6,16H,1H3,(H3,13,14)/b17-8+
InChIKeyMEQIAGWNJQXDQU-CAOOACKPSA-N
MW285.27 g/mol
LogP-0.10
Rot. Bonds5

About (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide (PubChem CID 172978506) has the molecular formula C11H11N9O and a molecular weight of 285.27 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide
PubChem CID172978506
Molecular FormulaC11H11N9O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2cnnn2)c(OC)c1
InChIInChI=1S/C11H11N9O/c1-21-10-4-7(16-17-8(5-12)11(13)14)2-3-9(10)20-6-15-18-19-20/h2-4,6,16H,1H3,(H3,13,14)/b17-8+
InChIKeyMEQIAGWNJQXDQU-CAOOACKPSA-N
XLogP-0.10
TPSA150.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256
(1Z)-2-amino-N-(3-ethenyl-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979644
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
(1Z)-2-amino-N-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172979974
(1Z)-2-amino-N-(3-chloro-4-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172980323
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-N-[3-(2-ethyltetrazol-5-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172976265
(1Z)-2-amino-N-(2,6-difluoro-3-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977132
(1Z)-2-amino-N-(2-cyano-6-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977399
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
(1Z)-2-amino-2-imino-N-(2-methoxy-5-phenylanilino)ethanimidoyl cyanide
CID 172932129

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide (CID 172978506) is (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(-n2cnnn2)c(OC)c1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide?
The InChIKey is MEQIAGWNJQXDQU-CAOOACKPSA-N. The full InChI is InChI=1S/C11H11N9O/c1-21-10-4-7(16-17-8(5-12)11(13)14)2-3-9(10)20-6-15-18-19-20/h2-4,6,16H,1H3,(H3,13,14)/b17-8+.
What are the key properties of (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide has a molecular weight of 285.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172978506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).