furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

C20H17N5O3 — CID 2235222

IUPACfuran-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccco2)cc1
InChIInChI=1S/C20H17N5O3/c1-27-16-8-6-14(7-9-16)12-22-20-23-18(15-4-2-10-21-13-15)24-25(20)19(26)17-5-3-11-28-17/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyYOUZYXOPBZHMJQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.24
Rot. Bonds6

About furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (PubChem CID 2235222) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
PubChem CID2235222
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Namefuran-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccco2)cc1
InChIInChI=1S/C20H17N5O3/c1-27-16-8-6-14(7-9-16)12-22-20-23-18(15-4-2-10-21-13-15)24-25(20)19(26)17-5-3-11-28-17/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyYOUZYXOPBZHMJQ-UHFFFAOYSA-N
XLogP3.24
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (CID 2235222) is furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The InChIKey is YOUZYXOPBZHMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-16-8-6-14(7-9-16)12-22-20-23-18(15-4-2-10-21-13-15)24-25(20)19(26)17-5-3-11-28-17/h2-11,13H,12H2,1H3,(H,22,23,24).
What are the key properties of furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone has a molecular weight of 375.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 2235222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).