[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

C17H25F2N5O2 — CID 175975099

IUPAC[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC(OCC2CCC(F)(F)CC2)C1)N1CCC(c2ncn[nH]2)C1
InChIInChI=1S/C17H25F2N5O2/c18-17(19)4-1-12(2-5-17)10-26-14-8-24(9-14)16(25)23-6-3-13(7-23)15-20-11-21-22-15/h11-14H,1-10H2,(H,20,21,22)
InChIKeyABKZNIYUGZTTAA-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.24
Rot. Bonds4

About [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 175975099) has the molecular formula C17H25F2N5O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID175975099
Molecular FormulaC17H25F2N5O2
Molecular Weight369.42 g/mol
Exact Mass369.20
IUPAC Name[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC(OCC2CCC(F)(F)CC2)C1)N1CCC(c2ncn[nH]2)C1
InChIInChI=1S/C17H25F2N5O2/c18-17(19)4-1-12(2-5-17)10-26-14-8-24(9-14)16(25)23-6-3-13(7-23)15-20-11-21-22-15/h11-14H,1-10H2,(H,20,21,22)
InChIKeyABKZNIYUGZTTAA-UHFFFAOYSA-N
XLogP2.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (CID 175975099) is [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is O=C(N1CC(OCC2CCC(F)(F)CC2)C1)N1CCC(c2ncn[nH]2)C1.
What is the InChIKey of [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ABKZNIYUGZTTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N5O2/c18-17(19)4-1-12(2-5-17)10-26-14-8-24(9-14)16(25)23-6-3-13(7-23)15-20-11-21-22-15/h11-14H,1-10H2,(H,20,21,22).
What are the key properties of [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
[3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,4-difluorocyclohexyl)methoxy]azetidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 175975099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).