(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile

C18H18N6O — CID 170148044

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile
SMILESCn1nc2ccccc2c1COc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C18H18N6O/c1-24-17(14-7-2-3-8-15(14)23-24)11-25-13-6-4-5-12(9-13)18(20)16(10-19)22-21/h2-9,22H,11,20-21H2,1H3/b18-16-
InChIKeyWROIXOVTAFHGBU-VLGSPTGOSA-N
MW334.38 g/mol
LogP1.77
Rot. Bonds5

About (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 170148044) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile
PubChem CID170148044
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile
SMILESCn1nc2ccccc2c1COc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C18H18N6O/c1-24-17(14-7-2-3-8-15(14)23-24)11-25-13-6-4-5-12(9-13)18(20)16(10-19)22-21/h2-9,22H,11,20-21H2,1H3/b18-16-
InChIKeyWROIXOVTAFHGBU-VLGSPTGOSA-N
XLogP1.77
TPSA114.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170148061
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
CID 170147862
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977
(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 170148018
(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile
CID 170147796
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
CID 170147689

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile (CID 170148044) is (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile is Cn1nc2ccccc2c1COc1cccc(/C(N)=C(\C#N)NN)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile?
The InChIKey is WROIXOVTAFHGBU-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24-17(14-7-2-3-8-15(14)23-24)11-25-13-6-4-5-12(9-13)18(20)16(10-19)22-21/h2-9,22H,11,20-21H2,1H3/b18-16-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile has a molecular weight of 334.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170148044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).