4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide

C23H27N5O3 — CID 164907696

IUPAC4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCCCCc1cn(-c2ccc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)cc2)nn1
InChIInChI=1S/C23H27N5O3/c1-4-5-6-19-15-28(27-24-19)20-11-7-17(8-12-20)22(29)25-26-23(30)18-9-13-21(14-10-18)31-16(2)3/h7-16H,4-6H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyQXCGFEGOJJNYDR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.47
Rot. Bonds8

About 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide

4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide (PubChem CID 164907696) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
PubChem CID164907696
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCCCCc1cn(-c2ccc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)cc2)nn1
InChIInChI=1S/C23H27N5O3/c1-4-5-6-19-15-28(27-24-19)20-11-7-17(8-12-20)22(29)25-26-23(30)18-9-13-21(14-10-18)31-16(2)3/h7-16H,4-6H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyQXCGFEGOJJNYDR-UHFFFAOYSA-N
XLogP3.47
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.47
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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Related Compounds

3-[1-(4-propan-2-yloxyphenyl)triazol-4-yl]propanoic acid
CID 107460448
N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide
CID 172786585
3-[[[4-(4-butyltriazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 164907756
N-[[1-(4-propan-2-yloxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66206682
N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane
CID 164907697
tert-butyl 4-[4-[[[4-(4-butyltriazol-1-yl)benzoyl]amino]carbamoyl]phenyl]piperidine-1-carboxylate
CID 164907724
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
4-butyl-1-phenyltriazole
CID 25191665
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
4-butyl-1-(4-nitrophenyl)triazole
CID 122455319
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide?
The IUPAC name of 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide (CID 164907696) is 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide is CCCCc1cn(-c2ccc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)cc2)nn1.
What is the InChIKey of 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide?
The InChIKey is QXCGFEGOJJNYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-5-6-19-15-28(27-24-19)20-11-7-17(8-12-20)22(29)25-26-23(30)18-9-13-21(14-10-18)31-16(2)3/h7-16H,4-6H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide?
4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide has a molecular weight of 421.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 164907696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).