3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide

C13H19N5O2 — CID 63584455

IUPAC3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)Cc2nccn2C)oc1C(=O)NN
InChIInChI=1S/C13H19N5O2/c1-9-6-10(20-12(9)13(19)16-14)7-17(2)8-11-15-4-5-18(11)3/h4-6H,7-8,14H2,1-3H3,(H,16,19)
InChIKeyNAQANXFNFIJNEI-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.56
Rot. Bonds5

About 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide

3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide (PubChem CID 63584455) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
PubChem CID63584455
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)Cc2nccn2C)oc1C(=O)NN
InChIInChI=1S/C13H19N5O2/c1-9-6-10(20-12(9)13(19)16-14)7-17(2)8-11-15-4-5-18(11)3/h4-6H,7-8,14H2,1-3H3,(H,16,19)
InChIKeyNAQANXFNFIJNEI-UHFFFAOYSA-N
XLogP0.56
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144617
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63570130
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
3-methyl-5-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103247021
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
1-(4-hydrazinyl-2-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 79259558
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide (CID 63584455) is 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide is Cc1cc(CN(C)Cc2nccn2C)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide?
The InChIKey is NAQANXFNFIJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-6-10(20-12(9)13(19)16-14)7-17(2)8-11-15-4-5-18(11)3/h4-6H,7-8,14H2,1-3H3,(H,16,19).
What are the key properties of 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide?
3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide has a molecular weight of 277.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63584455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).