1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea

C17H19N5O3 — CID 97048766

IUPAC1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
SMILESC[C@@H](c1ccco1)N(C(=O)NCc1nc(-c2ccco2)n[nH]1)C1CC1
InChIInChI=1S/C17H19N5O3/c1-11(13-4-2-8-24-13)22(12-6-7-12)17(23)18-10-15-19-16(21-20-15)14-5-3-9-25-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,23)(H,19,20,21)/t11-/m0/s1
InChIKeyPWXFMAWVRJMYMK-NSHDSACASA-N
MW341.37 g/mol
LogP3.09
Rot. Bonds6

About 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea

1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea (PubChem CID 97048766) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
PubChem CID97048766
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
SMILESC[C@@H](c1ccco1)N(C(=O)NCc1nc(-c2ccco2)n[nH]1)C1CC1
InChIInChI=1S/C17H19N5O3/c1-11(13-4-2-8-24-13)22(12-6-7-12)17(23)18-10-15-19-16(21-20-15)14-5-3-9-25-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,23)(H,19,20,21)/t11-/m0/s1
InChIKeyPWXFMAWVRJMYMK-NSHDSACASA-N
XLogP3.09
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 97048634
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
CID 154862449
(2S)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96562381
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
CID 75380704
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
CID 97222800
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 95950890
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 97048571
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97224561

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea (CID 97048766) is 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea is C[C@@H](c1ccco1)N(C(=O)NCc1nc(-c2ccco2)n[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The InChIKey is PWXFMAWVRJMYMK-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(13-4-2-8-24-13)22(12-6-7-12)17(23)18-10-15-19-16(21-20-15)14-5-3-9-25-14/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,23)(H,19,20,21)/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea is sourced from PubChem (CID 97048766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).