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

C14H15N7O — CID 172978269

IUPAC(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OCc2ccnn2C)cc1
InChIInChI=1S/C14H15N7O/c1-21-11(6-7-18-21)9-22-12-4-2-10(3-5-12)19-20-13(8-15)14(16)17/h2-7,19H,9H2,1H3,(H3,16,17)/b20-13+
InChIKeyHOBSVYXNBNSNFG-DEDYPNTBSA-N
MW297.32 g/mol
LogP1.23
Rot. Bonds6

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

(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide (PubChem CID 172978269) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide
PubChem CID172978269
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OCc2ccnn2C)cc1
InChIInChI=1S/C14H15N7O/c1-21-11(6-7-18-21)9-22-12-4-2-10(3-5-12)19-20-13(8-15)14(16)17/h2-7,19H,9H2,1H3,(H3,16,17)/b20-13+
InChIKeyHOBSVYXNBNSNFG-DEDYPNTBSA-N
XLogP1.23
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-octoxyanilino)ethanimidoyl cyanide
CID 172976307
5-[[4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenoxy]methyl]furan-2-carboxylic acid
CID 172978833
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
2-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168608711
(1Z)-2-amino-N-(4-butan-2-yloxyanilino)-2-iminoethanimidoyl cyanide
CID 172976300
(1Z)-2-amino-N-[4-[(2-carbamoyl-4-pyridinyl)oxy]anilino]-2-iminoethanimidoyl cyanide
CID 172979296
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
(1Z)-2-amino-N-(4-ethylsulfanylanilino)-2-iminoethanimidoyl cyanide
CID 172977634
(1Z)-2-amino-2-imino-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]ethanimidoyl cyanide
CID 172931760
(1Z)-2-amino-N-[4-(4,5-dichloroimidazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172980385
(1Z)-2-amino-N-[4-(5-chloro-3-methylpyrazol-1-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172977225

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide (CID 172978269) is (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(OCc2ccnn2C)cc1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide?
The InChIKey is HOBSVYXNBNSNFG-DEDYPNTBSA-N. The full InChI is InChI=1S/C14H15N7O/c1-21-11(6-7-18-21)9-22-12-4-2-10(3-5-12)19-20-13(8-15)14(16)17/h2-7,19H,9H2,1H3,(H3,16,17)/b20-13+.
What are the key properties of (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide has a molecular weight of 297.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[4-[(2-methylpyrazol-3-yl)methoxy]anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172978269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).