N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide

C18H20N6O2 — CID 9429397

IUPACN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C18H20N6O2/c1-11-6-4-5-7-14(11)17(26)23-22-16(25)9-8-15-12(2)21-18-19-10-20-24(18)13(15)3/h4-7,10H,8-9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGWLADANXRWBCHM-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.44
Rot. Bonds4

About N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide

N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide (PubChem CID 9429397) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide
PubChem CID9429397
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C18H20N6O2/c1-11-6-4-5-7-14(11)17(26)23-22-16(25)9-8-15-12(2)21-18-19-10-20-24(18)13(15)3/h4-7,10H,8-9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGWLADANXRWBCHM-UHFFFAOYSA-N
XLogP1.44
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.44
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

N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 8929308
N-(2-aminoethyl)-2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 120603731
N'-[2-(2-chlorophenoxy)acetyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanehydrazide
CID 9427887
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 47064558
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-phenylphenyl)propanamide
CID 9404077
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-2-pyridinyl)propanamide
CID 3241346
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate
CID 51180851
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 34560913

Frequently Asked Questions

What is the IUPAC name of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide (CID 9429397) is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)CCc1c(C)nc2ncnn2c1C.
What is the InChIKey of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide?
The InChIKey is GWLADANXRWBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-6-4-5-7-14(11)17(26)23-22-16(25)9-8-15-12(2)21-18-19-10-20-24(18)13(15)3/h4-7,10H,8-9H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide?
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide has a molecular weight of 352.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 9429397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).