N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide

C15H15N5O2 — CID 4152040

IUPACN-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(Cn1nnc2ccccc21)=NNC(=O)c1ccoc1C
InChIInChI=1S/C15H15N5O2/c1-10(16-18-15(21)12-7-8-22-11(12)2)9-20-14-6-4-3-5-13(14)17-19-20/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyXBCAQYQDUVESTF-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide

N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 4152040) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide
PubChem CID4152040
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(Cn1nnc2ccccc21)=NNC(=O)c1ccoc1C
InChIInChI=1S/C15H15N5O2/c1-10(16-18-15(21)12-7-8-22-11(12)2)9-20-14-6-4-3-5-13(14)17-19-20/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyXBCAQYQDUVESTF-UHFFFAOYSA-N
XLogP2.14
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzotriazol-1-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
CID 9593598
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole
CID 898637
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(5-methyl-2-furyl)methylene]acetohydrazide
CID 5412738
1-(Furan-3-carbonyl)-1H-1,2,3-benzotriazole
CID 3849700
2-(1H-benzotriazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9557236
2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide
CID 162625290
2-(benzotriazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 9563656
3-(1H-benzotriazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]propanehydrazide
CID 6877791
2-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(E)-(furan-2-YL)methylidene]propanehydrazide
CID 9689959
N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9231297
3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742349

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide (CID 4152040) is N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide is CC(Cn1nnc2ccccc21)=NNC(=O)c1ccoc1C.
What is the InChIKey of N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is XBCAQYQDUVESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10(16-18-15(21)12-7-8-22-11(12)2)9-20-14-6-4-3-5-13(14)17-19-20/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide?
N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 4152040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).