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

C6H8N4 — CID 136694505

IUPAC7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1C=CNc2ncnn21
InChIInChI=1S/C6H8N4/c1-5-2-3-7-6-8-4-9-10(5)6/h2-5H,1H3,(H,7,8,9)
InChIKeyRNJBUPJJHRGXSO-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.78
Rot. Bonds

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

7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136694505) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136694505
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1C=CNc2ncnn21
InChIInChI=1S/C6H8N4/c1-5-2-3-7-6-8-4-9-10(5)6/h2-5H,1H3,(H,7,8,9)
InChIKeyRNJBUPJJHRGXSO-UHFFFAOYSA-N
XLogP0.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dihydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 136401674
4,7-Dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 136428882
1,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136454086
2-(1,2,4-Triazol-1-yl)-1,2-dihydropyridine
CID 19041087
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 135737559
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-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;silver
CID 136438496
2-Methyl-1-[(7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)amino]propane-2-thiol
CID 136448036
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
2-Amino-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 137229347

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136694505) is 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1C=CNc2ncnn21.
What is the InChIKey of 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RNJBUPJJHRGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5-2-3-7-6-8-4-9-10(5)6/h2-5H,1H3,(H,7,8,9).
What are the key properties of 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 136.16 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136694505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).