3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide

C9H14N4O2 — CID 133240205

IUPAC3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
SMILESNNC(=O)c1cncn1CC1CCCO1
InChIInChI=1S/C9H14N4O2/c10-12-9(14)8-4-11-6-13(8)5-7-2-1-3-15-7/h4,6-7H,1-3,5,10H2,(H,12,14)
InChIKeyIDSZPFXGNQFYSI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.33
Rot. Bonds3

About 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide

3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide (PubChem CID 133240205) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
PubChem CID133240205
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide
SMILESNNC(=O)c1cncn1CC1CCCO1
InChIInChI=1S/C9H14N4O2/c10-12-9(14)8-4-11-6-13(8)5-7-2-1-3-15-7/h4,6-7H,1-3,5,10H2,(H,12,14)
InChIKeyIDSZPFXGNQFYSI-UHFFFAOYSA-N
XLogP-0.33
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
2-(3-ethylimidazol-4-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 66134514
3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
CID 114704529
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
CID 82522709
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazol-4-yl)methanone
CID 131640062

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide?
The IUPAC name of 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide (CID 133240205) is 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide?
The canonical SMILES for 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide is NNC(=O)c1cncn1CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide?
The InChIKey is IDSZPFXGNQFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-12-9(14)8-4-11-6-13(8)5-7-2-1-3-15-7/h4,6-7H,1-3,5,10H2,(H,12,14).
What are the key properties of 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide?
3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 133240205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).