3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

C18H21N5O2 — CID 75433860

IUPAC3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccoc2C)n1
InChIInChI=1S/C18H21N5O2/c1-12-15(9-10-25-12)11-22(4)18(24)20-16-7-5-6-8-17(16)23-14(3)19-13(2)21-23/h5-10H,11H2,1-4H3,(H,20,24)
InChIKeyBFJAWPQUTYXERX-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.45
Rot. Bonds4

About 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 75433860) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
PubChem CID75433860
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccoc2C)n1
InChIInChI=1S/C18H21N5O2/c1-12-15(9-10-25-12)11-22(4)18(24)20-16-7-5-6-8-17(16)23-14(3)19-13(2)21-23/h5-10H,11H2,1-4H3,(H,20,24)
InChIKeyBFJAWPQUTYXERX-UHFFFAOYSA-N
XLogP3.45
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 75433856
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea
CID 84590782
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 47033804
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61423971
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
6-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-2-carboxamide
CID 55052208
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (CID 75433860) is 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is Cc1nc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccoc2C)n1.
What is the InChIKey of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is BFJAWPQUTYXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-15(9-10-25-12)11-22(4)18(24)20-16-7-5-6-8-17(16)23-14(3)19-13(2)21-23/h5-10H,11H2,1-4H3,(H,20,24).
What are the key properties of 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 75433860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).