ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

C20H18N6O2 — CID 144664757

IUPACethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCC.c1cc(-c2n[nH]c(-c3ccco3)n2)cc(-c2n[nH]c(-c3ccco3)n2)c1
InChIInChI=1S/C18H12N6O2.C2H6/c1-4-11(15-19-17(23-21-15)13-6-2-8-25-13)10-12(5-1)16-20-18(24-22-16)14-7-3-9-26-14;1-2/h1-10H,(H,19,21,23)(H,20,22,24);1-2H3
InChIKeyCXGGASLTYUWVKK-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.80
Rot. Bonds4

About ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (PubChem CID 144664757) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
PubChem CID144664757
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Nameethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCC.c1cc(-c2n[nH]c(-c3ccco3)n2)cc(-c2n[nH]c(-c3ccco3)n2)c1
InChIInChI=1S/C18H12N6O2.C2H6/c1-4-11(15-19-17(23-21-15)13-6-2-8-25-13)10-12(5-1)16-20-18(24-22-16)14-7-3-9-26-14;1-2/h1-10H,(H,19,21,23)(H,20,22,24);1-2H3
InChIKeyCXGGASLTYUWVKK-UHFFFAOYSA-N
XLogP4.80
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
CID 10635904
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
CID 164601354
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]aniline
CID 168581377
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 154796953
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
CID 10541032
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589

Frequently Asked Questions

What is the IUPAC name of ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (CID 144664757) is ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is CC.c1cc(-c2n[nH]c(-c3ccco3)n2)cc(-c2n[nH]c(-c3ccco3)n2)c1.
What is the InChIKey of ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The InChIKey is CXGGASLTYUWVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2.C2H6/c1-4-11(15-19-17(23-21-15)13-6-2-8-25-13)10-12(5-1)16-20-18(24-22-16)14-7-3-9-26-14;1-2/h1-10H,(H,19,21,23)(H,20,22,24);1-2H3.
What are the key properties of ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole has a molecular weight of 374.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 144664757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).