1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole

C14H24N6 — CID 167085718

IUPAC1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole
SMILESCc1nc(CCC(C)(C)n2cncn2)n(C(C)(C)C)n1
InChIInChI=1S/C14H24N6/c1-11-17-12(20(18-11)13(2,3)4)7-8-14(5,6)19-10-15-9-16-19/h9-10H,7-8H2,1-6H3
InChIKeyBHZJOMMYCALPKO-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.30
Rot. Bonds4

About 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole

1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole (PubChem CID 167085718) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole
PubChem CID167085718
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole
SMILESCc1nc(CCC(C)(C)n2cncn2)n(C(C)(C)C)n1
InChIInChI=1S/C14H24N6/c1-11-17-12(20(18-11)13(2,3)4)7-8-14(5,6)19-10-15-9-16-19/h9-10H,7-8H2,1-6H3
InChIKeyBHZJOMMYCALPKO-UHFFFAOYSA-N
XLogP2.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 72867410
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CID 54349654
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CID 57050467
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CID 58125122
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CID 69383425

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole (CID 167085718) is 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole is Cc1nc(CCC(C)(C)n2cncn2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole?
The InChIKey is BHZJOMMYCALPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11-17-12(20(18-11)13(2,3)4)7-8-14(5,6)19-10-15-9-16-19/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole?
1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole has a molecular weight of 276.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-5-[3-methyl-3-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole is sourced from PubChem (CID 167085718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).