[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone

C20H18N6O2 — CID 57389895

IUPAC[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCOCC1
InChIInChI=1S/C20H18N6O2/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)26-13-18(22-24-26)19-16-3-1-2-4-17(16)21-23-19/h1-8,13H,9-12H2,(H,21,23)
InChIKeyAWKMTBKWSQZDJJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.28
Rot. Bonds3

About [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 57389895) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID57389895
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCOCC1
InChIInChI=1S/C20H18N6O2/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)26-13-18(22-24-26)19-16-3-1-2-4-17(16)21-23-19/h1-8,13H,9-12H2,(H,21,23)
InChIKeyAWKMTBKWSQZDJJ-UHFFFAOYSA-N
XLogP2.28
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone (CID 57389895) is [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AWKMTBKWSQZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-20(25-9-11-28-12-10-25)14-5-7-15(8-6-14)26-13-18(22-24-26)19-16-3-1-2-4-17(16)21-23-19/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 374.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 57389895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).