[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C18H27N5O2 — CID 75519893

IUPAC[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCOCC1
InChIInChI=1S/C18H27N5O2/c24-18(21-8-10-25-11-9-21)15-2-1-7-22(15)12-16-19-20-17(13-3-4-13)23(16)14-5-6-14/h13-15H,1-12H2
InChIKeyWLXAJDQXBZRRIN-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.31
Rot. Bonds5

About [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 75519893) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID75519893
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCOCC1
InChIInChI=1S/C18H27N5O2/c24-18(21-8-10-25-11-9-21)15-2-1-7-22(15)12-16-19-20-17(13-3-4-13)23(16)14-5-6-14/h13-15H,1-12H2
InChIKeyWLXAJDQXBZRRIN-UHFFFAOYSA-N
XLogP1.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 75519893) is [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCOCC1.
What is the InChIKey of [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WLXAJDQXBZRRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(21-8-10-25-11-9-21)15-2-1-7-22(15)12-16-19-20-17(13-3-4-13)23(16)14-5-6-14/h13-15H,1-12H2.
What are the key properties of [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75519893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).