(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C16H22N6O2 — CID 71928744

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-9(2)14-17-15(21-20-14)13-8-22(5-6-24-13)16(23)12-7-11(18-19-12)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyFGJWSGBYRFZVEF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.74
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71928744) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71928744
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1
InChIInChI=1S/C16H22N6O2/c1-9(2)14-17-15(21-20-14)13-8-22(5-6-24-13)16(23)12-7-11(18-19-12)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyFGJWSGBYRFZVEF-UHFFFAOYSA-N
XLogP1.74
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71928744) is (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is FGJWSGBYRFZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-9(2)14-17-15(21-20-14)13-8-22(5-6-24-13)16(23)12-7-11(18-19-12)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19)(H,17,20,21).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).