5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide

C10H11N5O — CID 68635306

IUPAC5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
SMILESCc1[nH]c(-c2cccnc2)nc1C(=O)NN
InChIInChI=1S/C10H11N5O/c1-6-8(10(16)15-11)14-9(13-6)7-3-2-4-12-5-7/h2-5H,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyXSJBCQINEONNQG-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.38
Rot. Bonds2

About 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide

5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide (PubChem CID 68635306) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
PubChem CID68635306
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
SMILESCc1[nH]c(-c2cccnc2)nc1C(=O)NN
InChIInChI=1S/C10H11N5O/c1-6-8(10(16)15-11)14-9(13-6)7-3-2-4-12-5-7/h2-5H,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyXSJBCQINEONNQG-UHFFFAOYSA-N
XLogP0.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide?
The IUPAC name of 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide (CID 68635306) is 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide is Cc1[nH]c(-c2cccnc2)nc1C(=O)NN.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide?
The InChIKey is XSJBCQINEONNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-8(10(16)15-11)14-9(13-6)7-3-2-4-12-5-7/h2-5H,11H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide?
5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide is sourced from PubChem (CID 68635306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).