1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole

C14H24N6 — CID 135199992

IUPAC1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
SMILESCC(C)c1cn(C(C)CCC(C)c2cn(C)nn2)nn1
InChIInChI=1S/C14H24N6/c1-10(2)13-9-20(18-15-13)12(4)7-6-11(3)14-8-19(5)17-16-14/h8-12H,6-7H2,1-5H3
InChIKeyLRDRZBQLTWRQCF-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.67
Rot. Bonds6

About 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole

1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole (PubChem CID 135199992) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole.

Molecular Properties

Compound Name1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
PubChem CID135199992
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
SMILESCC(C)c1cn(C(C)CCC(C)c2cn(C)nn2)nn1
InChIInChI=1S/C14H24N6/c1-10(2)13-9-20(18-15-13)12(4)7-6-11(3)14-8-19(5)17-16-14/h8-12H,6-7H2,1-5H3
InChIKeyLRDRZBQLTWRQCF-UHFFFAOYSA-N
XLogP2.67
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The IUPAC name of 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole (CID 135199992) is 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole.
What is the SMILES notation for 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The canonical SMILES for 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole is CC(C)c1cn(C(C)CCC(C)c2cn(C)nn2)nn1.
What is the InChIKey of 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The InChIKey is LRDRZBQLTWRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-10(2)13-9-20(18-15-13)12(4)7-6-11(3)14-8-19(5)17-16-14/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole has a molecular weight of 276.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole is sourced from PubChem (CID 135199992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).