5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine

C8H12N4 — CID 137181789

IUPAC5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)(C)Nc2ncnn21
InChIInChI=1S/C8H12N4/c1-6-4-8(2,3)11-7-9-5-10-12(6)7/h4-5H,1-3H3,(H,9,10,11)
InChIKeySAWGNKMEXRBVHX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.34
Rot. Bonds

About 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine

5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 137181789) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID137181789
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)(C)Nc2ncnn21
InChIInChI=1S/C8H12N4/c1-6-4-8(2,3)11-7-9-5-10-12(6)7/h4-5H,1-3H3,(H,9,10,11)
InChIKeySAWGNKMEXRBVHX-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2E,4Z,6Z)-6-ethylocta-2,4,6-trien-3-yl]-1,2,4-triazol-3-amine
CID 135233074
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137032467
N-methyl-5-(1,2,4-triazol-1-ylmethyl)cyclohepta-1,4,6-trien-1-amine
CID 144055284
4-[(E)-hex-3-en-3-yl]-N-methyl-1,2,4-triazol-3-amine
CID 156557223
5,7-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 169006543
2-Methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
CID 173107871
4-(1,2,4-Triazol-1-yl)-1,2,3,6-tetrahydropyridine
CID 173108269
3-(1,2,4-Triazol-1-yl)hex-2-en-1-amine
CID 174778817
3-(1,2,4-Triazol-1-yl)hex-2-en-1-amine;hydrochloride
CID 174778847
N,N,5-trimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 352450
5-Isopropyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136694501

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 137181789) is 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine is CC1=CC(C)(C)Nc2ncnn21.
What is the InChIKey of 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SAWGNKMEXRBVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-4-8(2,3)11-7-9-5-10-12(6)7/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine?
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137181789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).