1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea

C13H17N5O2 — CID 138023096

IUPAC1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)N(Cc2ccoc2)C2CC2)nn1
InChIInChI=1S/C13H17N5O2/c1-17-8-11(15-16-17)6-14-13(19)18(12-2-3-12)7-10-4-5-20-9-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,19)
InChIKeyJSIHGKFUPULZIC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.28
Rot. Bonds5

About 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea

1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea (PubChem CID 138023096) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea
PubChem CID138023096
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)N(Cc2ccoc2)C2CC2)nn1
InChIInChI=1S/C13H17N5O2/c1-17-8-11(15-16-17)6-14-13(19)18(12-2-3-12)7-10-4-5-20-9-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,19)
InChIKeyJSIHGKFUPULZIC-UHFFFAOYSA-N
XLogP1.28
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 119064011
4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 154770265
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
CID 71868361
1-cyclopropyl-3-(6-cyclopropylpyridazin-3-yl)-1-(furan-3-ylmethyl)urea
CID 146138751
(3S)-N-[(1-methyltriazol-4-yl)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 164635636
N-cyclohexyl-N-(furan-3-ylmethyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 6487103
1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 138022973
N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide
CID 154794167
1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 138018848
1-cyclopropyl-3-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methylurea
CID 71855557
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122566915

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea (CID 138023096) is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea is Cn1cc(CNC(=O)N(Cc2ccoc2)C2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea?
The InChIKey is JSIHGKFUPULZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-8-11(15-16-17)6-14-13(19)18(12-2-3-12)7-10-4-5-20-9-10/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,19).
What are the key properties of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea?
1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea has a molecular weight of 275.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea is sourced from PubChem (CID 138023096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).