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

C19H20N8O2 — CID 8929308

IUPACN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C19H20N8O2/c1-11-14(13(3)27-19(23-11)20-10-21-27)7-8-16(28)24-25-18(29)17-12(2)22-15-6-4-5-9-26(15)17/h4-6,9-10H,7-8H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyKYSYSXZZRMIZGX-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.09
Rot. Bonds4

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

N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 8929308) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID8929308
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C19H20N8O2/c1-11-14(13(3)27-19(23-11)20-10-21-27)7-8-16(28)24-25-18(29)17-12(2)22-15-6-4-5-9-26(15)17/h4-6,9-10H,7-8H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyKYSYSXZZRMIZGX-UHFFFAOYSA-N
XLogP1.09
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide with MolForge

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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-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of 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) is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1c(C)nc2ccccn12.
What is the InChIKey of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is KYSYSXZZRMIZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-11-14(13(3)27-19(23-11)20-10-21-27)7-8-16(28)24-25-18(29)17-12(2)22-15-6-4-5-9-26(15)17/h4-6,9-10H,7-8H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 392.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 8929308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).