7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C10H14N4 — CID 747655

IUPAC7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4/c1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h5-6H,1-4H3
InChIKeyKOELFJWVJGYBFW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.73
Rot. Bonds

About 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 747655) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID747655
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4/c1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h5-6H,1-4H3
InChIKeyKOELFJWVJGYBFW-UHFFFAOYSA-N
XLogP1.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 1971110
3,5,7-trimethyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 3238460
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
5,7-Dipropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 290556
5,7-Di(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 290557
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
7-Chloro-5-cyclopropyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 63358162
5-Tert-butyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2925368
N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17986622

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 747655) is 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C(C)(C)C)n2ncnc2n1.
What is the InChIKey of 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KOELFJWVJGYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h5-6H,1-4H3.
What are the key properties of 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 190.25 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 747655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).