2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole

C15H30N6 — CID 135084935

IUPAC2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole
SMILESCCCCN1CN(CCCN2C=NN(CCCC)C2)C=N1
InChIInChI=1S/C15H30N6/c1-3-5-10-20-14-18(12-16-20)8-7-9-19-13-17-21(15-19)11-6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyDASBIXCKVQKNSK-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.01
Rot. Bonds10

About 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole

2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole (PubChem CID 135084935) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole.

Molecular Properties

Compound Name2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole
PubChem CID135084935
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole
SMILESCCCCN1CN(CCCN2C=NN(CCCC)C2)C=N1
InChIInChI=1S/C15H30N6/c1-3-5-10-20-14-18(12-16-20)8-7-9-19-13-17-21(15-19)11-6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyDASBIXCKVQKNSK-UHFFFAOYSA-N
XLogP2.01
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-methyl-2H-imidazole
CID 10265934
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-butyl-3-sulfanyl-2H-imidazole
CID 152535401
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole?
The IUPAC name of 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole (CID 135084935) is 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole.
What is the SMILES notation for 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole?
The canonical SMILES for 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole is CCCCN1CN(CCCN2C=NN(CCCC)C2)C=N1.
What is the InChIKey of 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole?
The InChIKey is DASBIXCKVQKNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-3-5-10-20-14-18(12-16-20)8-7-9-19-13-17-21(15-19)11-6-4-2/h12-13H,3-11,14-15H2,1-2H3.
What are the key properties of 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole?
2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole has a molecular weight of 294.45 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole is sourced from PubChem (CID 135084935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).