3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole

C14H22N6 — CID 139305940

IUPAC3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole
SMILESCC(CCc1ncnn1C(C)C)n1cnc(C2CC2)n1
InChIInChI=1S/C14H22N6/c1-10(2)20-13(15-8-17-20)7-4-11(3)19-9-16-14(18-19)12-5-6-12/h8-12H,4-7H2,1-3H3
InChIKeyYQLIIEOWEBLXIV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.52
Rot. Bonds6

About 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole

3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole (PubChem CID 139305940) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole
PubChem CID139305940
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole
SMILESCC(CCc1ncnn1C(C)C)n1cnc(C2CC2)n1
InChIInChI=1S/C14H22N6/c1-10(2)20-13(15-8-17-20)7-4-11(3)19-9-16-14(18-19)12-5-6-12/h8-12H,4-7H2,1-3H3
InChIKeyYQLIIEOWEBLXIV-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole (CID 139305940) is 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole is CC(CCc1ncnn1C(C)C)n1cnc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole?
The InChIKey is YQLIIEOWEBLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10(2)20-13(15-8-17-20)7-4-11(3)19-9-16-14(18-19)12-5-6-12/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole?
3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]-1,2,4-triazole is sourced from PubChem (CID 139305940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).