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

C10H14N4 — CID 137032467

IUPAC7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=C1C=C(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,1H2,2-4H3,(H,11,12,13)
InChIKeyOGZINNRTHLFRMV-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.10
Rot. Bonds

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

7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 137032467) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID137032467
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=C1C=C(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,1H2,2-4H3,(H,11,12,13)
InChIKeyOGZINNRTHLFRMV-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 137032467) is 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine is C=C1C=C(C(C)(C)C)n2ncnc2N1.
What is the InChIKey of 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OGZINNRTHLFRMV-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,1H2,2-4H3,(H,11,12,13).
What are the key properties of 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 190.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137032467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).