(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide

C14H15N7 — CID 172977053

IUPAC(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C14H15N7/c1-9-7-10(2)21(20-9)13-6-4-3-5-11(13)18-19-12(8-15)14(16)17/h3-7,18H,1-2H3,(H3,16,17)/b19-12+
InChIKeyKXEODJXOOFCQJB-XDHOZWIPSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds4

About (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172977053) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172977053
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C14H15N7/c1-9-7-10(2)21(20-9)13-6-4-3-5-11(13)18-19-12(8-15)14(16)17/h3-7,18H,1-2H3,(H3,16,17)/b19-12+
InChIKeyKXEODJXOOFCQJB-XDHOZWIPSA-N
XLogP1.72
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
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-2-imino-N-(2-morpholin-4-ylanilino)ethanimidoyl cyanide
CID 172976073
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-[4-(5-chloro-3-methylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977225
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-[2-(1,3,4-oxadiazol-2-yl)anilino]ethanimidoyl cyanide
CID 172977642
(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
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-[(3-bromo-1-methylindazol-7-yl)amino]-2-iminoethanimidoyl cyanide
CID 172979558
(1Z)-2-amino-2-imino-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]ethanimidoyl cyanide
CID 172977726
(1Z)-2-amino-2-imino-N-(2-propylsulfanylanilino)ethanimidoyl cyanide
CID 172977189
(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-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide (CID 172977053) is (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is KXEODJXOOFCQJB-XDHOZWIPSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-7-10(2)21(20-9)13-6-4-3-5-11(13)18-19-12(8-15)14(16)17/h3-7,18H,1-2H3,(H3,16,17)/b19-12+.
What are the key properties of (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 281.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[2-(3,5-dimethylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172977053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).