1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole

C19H24N6O — CID 50970697

IUPAC1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(-n2nc(C3CC3)nc2C(C)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C19H24N6O/c1-12(11-24-14(3)20-13(2)22-24)19-21-18(15-5-6-15)23-25(19)16-7-9-17(26-4)10-8-16/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyOWITVLSRMGPGHC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole

1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole (PubChem CID 50970697) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole
PubChem CID50970697
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(-n2nc(C3CC3)nc2C(C)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C19H24N6O/c1-12(11-24-14(3)20-13(2)22-24)19-21-18(15-5-6-15)23-25(19)16-7-9-17(26-4)10-8-16/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyOWITVLSRMGPGHC-UHFFFAOYSA-N
XLogP3.17
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole with MolForge

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Related Compounds

1-[3-[4-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
CID 90654501
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(4-methoxyphenyl)-1-phenyl-urea
CID 44455031
3-ethyl-4-(4-octyloxyphenyl)-4H-1,2,4-triazole
CID 23643967
4-(4-Ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 44437136
3-Ethyl-4-(4-propoxyphenyl)-1,2,4-triazole
CID 44437137
4-(4-Butoxyphenyl)-3-ethyl-1,2,4-triazole
CID 44437138
3-Ethyl-4-(4-hexoxyphenyl)-1,2,4-triazole
CID 44437139
3-Ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole
CID 44437140
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isopropyl-5-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 50948448
3-isopropyl-1-(4-methoxyphenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole
CID 50961520
5-(isopropoxymethyl)-3-isopropyl-1-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 50962810
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isobutyl-5-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 50971776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole (CID 50970697) is 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole is COc1ccc(-n2nc(C3CC3)nc2C(C)Cn2nc(C)nc2C)cc1.
What is the InChIKey of 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole?
The InChIKey is OWITVLSRMGPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12(11-24-14(3)20-13(2)22-24)19-21-18(15-5-6-15)23-25(19)16-7-9-17(26-4)10-8-16/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole?
1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole has a molecular weight of 352.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 50970697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).