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

C6H8N4 — CID 136694502

IUPAC6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CNc2ncnn2C1
InChIInChI=1S/C6H8N4/c1-5-2-7-6-8-4-9-10(6)3-5/h2,4H,3H2,1H3,(H,7,8,9)
InChIKeyGRTBKAUHNSDHBJ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.61
Rot. Bonds

About 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136694502) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136694502
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CNc2ncnn2C1
InChIInChI=1S/C6H8N4/c1-5-2-7-6-8-4-9-10(6)3-5/h2,4H,3H2,1H3,(H,7,8,9)
InChIKeyGRTBKAUHNSDHBJ-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4,7-Dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 137797082
5-Amino-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 137797091
1-(2-Methylprop-2-enyl)-1,2,4-triazole
CID 13133624
N-(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine
CID 57847808
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
5,6-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135976745
6-Octyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 136368553
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
4,7-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141270841
3,5-Dimethyl-1,8,10-triaza-5-azonia-6-azanidabicyclo[5.3.0]deca-2,7,9-triene
CID 164080523

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136694502) is 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1=CNc2ncnn2C1.
What is the InChIKey of 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GRTBKAUHNSDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5-2-7-6-8-4-9-10(6)3-5/h2,4H,3H2,1H3,(H,7,8,9).
What are the key properties of 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 136.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136694502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).