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

C18H23N5O2 — CID 86793317

IUPAC1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(-c2ncn[nH]2)c1)NC1CCOC(C2CC2)C1
InChIInChI=1S/C18H23N5O2/c24-18(22-15-6-7-25-16(9-15)13-4-5-13)19-10-12-2-1-3-14(8-12)17-20-11-21-23-17/h1-3,8,11,13,15-16H,4-7,9-10H2,(H2,19,22,24)(H,20,21,23)
InChIKeyLLDCZUJFXMBWTB-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.23
Rot. Bonds5

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

1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea (PubChem CID 86793317) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
PubChem CID86793317
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(-c2ncn[nH]2)c1)NC1CCOC(C2CC2)C1
InChIInChI=1S/C18H23N5O2/c24-18(22-15-6-7-25-16(9-15)13-4-5-13)19-10-12-2-1-3-14(8-12)17-20-11-21-23-17/h1-3,8,11,13,15-16H,4-7,9-10H2,(H2,19,22,24)(H,20,21,23)
InChIKeyLLDCZUJFXMBWTB-UHFFFAOYSA-N
XLogP2.23
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 166210500
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-[[(1R,2R)-2-phenylcyclopropyl]methyl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 97081626
1-[(1-hydroxycycloheptyl)methyl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 111426908
N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]prop-2-enamide
CID 139018828
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 99625310
(2S)-2-(hydroxymethyl)-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111428347
3-(hydroxymethyl)-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 111414367
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea (CID 86793317) is 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea is O=C(NCc1cccc(-c2ncn[nH]2)c1)NC1CCOC(C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea?
The InChIKey is LLDCZUJFXMBWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(22-15-6-7-25-16(9-15)13-4-5-13)19-10-12-2-1-3-14(8-12)17-20-11-21-23-17/h1-3,8,11,13,15-16H,4-7,9-10H2,(H2,19,22,24)(H,20,21,23).
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea?
1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea is sourced from PubChem (CID 86793317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).