(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide

C18H17N5O2 — CID 122514073

IUPAC(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1NCc1ccc(-n2cncn2)cc1)NO
InChIInChI=1S/C18H17N5O2/c24-18(22-25)10-7-15-3-1-2-4-17(15)20-11-14-5-8-16(9-6-14)23-13-19-12-21-23/h1-10,12-13,20,25H,11H2,(H,22,24)/b10-7+
InChIKeyHWWHMXSYUIKMHC-JXMROGBWSA-N
MW335.37 g/mol
LogP2.40
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide (PubChem CID 122514073) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide
PubChem CID122514073
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1NCc1ccc(-n2cncn2)cc1)NO
InChIInChI=1S/C18H17N5O2/c24-18(22-25)10-7-15-3-1-2-4-17(15)20-11-14-5-8-16(9-6-14)23-13-19-12-21-23/h1-10,12-13,20,25H,11H2,(H,22,24)/b10-7+
InChIKeyHWWHMXSYUIKMHC-JXMROGBWSA-N
XLogP2.40
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide
CID 166920751
(E)-3-[4-(cyanomethoxy)phenyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]prop-2-enamide
CID 55795546
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
(E)-3-(2-bromophenyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 98710714
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]prop-2-enamide
CID 51116195
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55795776
5-bromo-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]benzonitrile
CID 133450924
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732141
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732144

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide (CID 122514073) is (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1NCc1ccc(-n2cncn2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide?
The InChIKey is HWWHMXSYUIKMHC-JXMROGBWSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(22-25)10-7-15-3-1-2-4-17(15)20-11-14-5-8-16(9-6-14)23-13-19-12-21-23/h1-10,12-13,20,25H,11H2,(H,22,24)/b10-7+.
What are the key properties of (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide has a molecular weight of 335.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 122514073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).