1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)

C12H15N3Ru+3 — CID 160958444

IUPAC1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
SMILESCCCc1nc(-c2ccccc2)n(C)n1.[Ru+3]
InChIInChI=1S/C12H15N3.Ru/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;/q;+3
InChIKeySWRWSLPNFBZKIM-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.43
Rot. Bonds3

About 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)

1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+) (PubChem CID 160958444) has the molecular formula C12H15N3Ru+3 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+).

Molecular Properties

Compound Name1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
PubChem CID160958444
Molecular FormulaC12H15N3Ru+3
Molecular Weight302.34 g/mol
Exact Mass303.03
IUPAC Name1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
SMILESCCCc1nc(-c2ccccc2)n(C)n1.[Ru+3]
InChIInChI=1S/C12H15N3.Ru/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;/q;+3
InChIKeySWRWSLPNFBZKIM-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-1-methyl-3-propyl-1,2,4-triazole
CID 102042995
1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 166028004
2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzoic acid
CID 55111470
5-[3-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)phenyl]phenyl]-1-methyl-3-propyl-1,2,4-triazole
CID 145332585
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
3-[5-(4-chlorophenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82486818
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
4-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)aniline
CID 63653874
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
CID 62786742
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]propanoic acid
CID 82478955

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)?
The IUPAC name of 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+) (CID 160958444) is 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+).
What is the SMILES notation for 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)?
The canonical SMILES for 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+) is CCCc1nc(-c2ccccc2)n(C)n1.[Ru+3].
What is the InChIKey of 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)?
The InChIKey is SWRWSLPNFBZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.Ru/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;/q;+3.
What are the key properties of 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)?
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+) has a molecular weight of 302.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+) is sourced from PubChem (CID 160958444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).