1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C12H17N5O2 — CID 94120017

IUPAC1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@@H](NC(=O)N(C)Cc1ccco1)c1nncn1C
InChIInChI=1S/C12H17N5O2/c1-9(11-15-13-8-17(11)3)14-12(18)16(2)7-10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,18)/t9-/m1/s1
InChIKeyWBIFIRVVNFHVJQ-SECBINFHSA-N
MW263.30 g/mol
LogP1.31
Rot. Bonds4

About 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 94120017) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID94120017
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@@H](NC(=O)N(C)Cc1ccco1)c1nncn1C
InChIInChI=1S/C12H17N5O2/c1-9(11-15-13-8-17(11)3)14-12(18)16(2)7-10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,18)/t9-/m1/s1
InChIKeyWBIFIRVVNFHVJQ-SECBINFHSA-N
XLogP1.31
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089880
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 75457865
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)urea
CID 94119987
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119972
1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
CID 75372959
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
1-(2-methoxyethyl)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 94120105
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
1-(furan-2-ylmethyl)-1-methyl-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 60595612
N-(furan-2-ylmethyl)-N-methyl-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 17397764

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 94120017) is 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is C[C@@H](NC(=O)N(C)Cc1ccco1)c1nncn1C.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is WBIFIRVVNFHVJQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9(11-15-13-8-17(11)3)14-12(18)16(2)7-10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,18)/t9-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 263.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-methyl-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 94120017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).