5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C7H10N4 — CID 169006543

IUPAC5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)Nc2ncnn21
InChIInChI=1S/C7H10N4/c1-5-3-6(2)11-7(10-5)8-4-9-11/h3-5H,1-2H3,(H,8,9,10)
InChIKeyJKRCXMQZKPKITG-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.95
Rot. Bonds

About 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 169006543) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID169006543
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(C)Nc2ncnn21
InChIInChI=1S/C7H10N4/c1-5-3-6(2)11-7(10-5)8-4-9-11/h3-5H,1-2H3,(H,8,9,10)
InChIKeyJKRCXMQZKPKITG-UHFFFAOYSA-N
XLogP0.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
3-(1,2,4-Triazol-1-yl)cyclopent-2-en-1-amine
CID 121317437
5,6-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135976745
5-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136196381
7-Chloro-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136448047
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
5,7-Dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136646385
7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137032467
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137181789
5-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 142898208
N-methyl-5-(1,2,4-triazol-1-ylmethyl)cyclohepta-1,4,6-trien-1-amine
CID 144055284

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 169006543) is 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1=CC(C)Nc2ncnn21.
What is the InChIKey of 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JKRCXMQZKPKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-5-3-6(2)11-7(10-5)8-4-9-11/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 150.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 169006543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).