6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole

C12H18N4 — CID 140539575

IUPAC6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
SMILESCC(C)=c1c(C(C)(C)C)nn2c(C)nnc12
InChIInChI=1S/C12H18N4/c1-7(2)9-10(12(4,5)6)15-16-8(3)13-14-11(9)16/h1-6H3
InChIKeyDPANRKUZZTURAZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.64
Rot. Bonds

About 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole

6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole (PubChem CID 140539575) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
PubChem CID140539575
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
SMILESCC(C)=c1c(C(C)(C)C)nn2c(C)nnc12
InChIInChI=1S/C12H18N4/c1-7(2)9-10(12(4,5)6)15-16-8(3)13-14-11(9)16/h1-6H3
InChIKeyDPANRKUZZTURAZ-UHFFFAOYSA-N
XLogP1.64
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
CID 57879785
2,6-Dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
CID 58322124
6-Tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
CID 59289902
(7Z)-7-butan-2-ylidene-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazole
CID 68222987
(7Z)-7-ethylidene-2,6-dimethylpyrazolo[1,5-b][1,2,4]triazole
CID 134535152
6-Butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
CID 143762856

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole (CID 140539575) is 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole is CC(C)=c1c(C(C)(C)C)nn2c(C)nnc12.
What is the InChIKey of 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is DPANRKUZZTURAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)9-10(12(4,5)6)15-16-8(3)13-14-11(9)16/h1-6H3.
What are the key properties of 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole?
6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 218.30 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 140539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).