N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide

C20H21N5O4 — CID 46407897

IUPACN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nn2)ccc1OC(C)C
InChIInChI=1S/C20H21N5O4/c1-13(2)29-17-10-9-14(11-18(17)28-3)19(26)22-23-20(27)16-12-25(24-21-16)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H,23,27)
InChIKeyYVJMYJWQOLMVAV-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.14
Rot. Bonds6

About N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide

N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide (PubChem CID 46407897) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide
PubChem CID46407897
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nn2)ccc1OC(C)C
InChIInChI=1S/C20H21N5O4/c1-13(2)29-17-10-9-14(11-18(17)28-3)19(26)22-23-20(27)16-12-25(24-21-16)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H,23,27)
InChIKeyYVJMYJWQOLMVAV-UHFFFAOYSA-N
XLogP2.14
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 46663736
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
CID 43066169
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide (CID 46407897) is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nn2)ccc1OC(C)C.
What is the InChIKey of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide?
The InChIKey is YVJMYJWQOLMVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-13(2)29-17-10-9-14(11-18(17)28-3)19(26)22-23-20(27)16-12-25(24-21-16)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide?
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide has a molecular weight of 395.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 46407897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).