N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide

C20H21N5O3 — CID 24615669

IUPACN'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-14(2)28-18-9-7-17(8-10-18)20(27)24-23-19(26)16-5-3-15(4-6-16)11-25-13-21-12-22-25/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBRJBTKSWZAHFBU-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.19
Rot. Bonds6

About N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide

N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide (PubChem CID 24615669) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide
PubChem CID24615669
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-14(2)28-18-9-7-17(8-10-18)20(27)24-23-19(26)16-5-3-15(4-6-16)11-25-13-21-12-22-25/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBRJBTKSWZAHFBU-UHFFFAOYSA-N
XLogP2.19
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide?
The IUPAC name of N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide (CID 24615669) is N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide?
The canonical SMILES for N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide?
The InChIKey is BRJBTKSWZAHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14(2)28-18-9-7-17(8-10-18)20(27)24-23-19(26)16-5-3-15(4-6-16)11-25-13-21-12-22-25/h3-10,12-14H,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide?
N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide has a molecular weight of 379.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxybenzoyl)-4-(1,2,4-triazol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 24615669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).