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

C14H22N6 — CID 146512429

IUPAC1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCCCc1nc(CC2CC2c2nc(C)nn2C)n(C)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-16-13(19(3)18-12)8-10-7-11(10)14-15-9(2)17-20(14)4/h10-11H,5-8H2,1-4H3
InChIKeyBERRSCFPGSYPJV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.55
Rot. Bonds5

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

1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole (PubChem CID 146512429) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
PubChem CID146512429
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCCCc1nc(CC2CC2c2nc(C)nn2C)n(C)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-16-13(19(3)18-12)8-10-7-11(10)14-15-9(2)17-20(14)4/h10-11H,5-8H2,1-4H3
InChIKeyBERRSCFPGSYPJV-UHFFFAOYSA-N
XLogP1.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The IUPAC name of 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole (CID 146512429) is 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole is CCCc1nc(CC2CC2c2nc(C)nn2C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The InChIKey is BERRSCFPGSYPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-6-12-16-13(19(3)18-12)8-10-7-11(10)14-15-9(2)17-20(14)4/h10-11H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 146512429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).