2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H14N4O — CID 136773955

IUPAC2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(CC(C)C)n2n1
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-5-9(15)12-10-11-7(3)13-14(8)10/h5-6H,4H2,1-3H3,(H,11,12,13,15)
InChIKeyUSJKZQBZHQVIDJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773955) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773955
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(CC(C)C)n2n1
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-5-9(15)12-10-11-7(3)13-14(8)10/h5-6H,4H2,1-3H3,(H,11,12,13,15)
InChIKeyUSJKZQBZHQVIDJ-UHFFFAOYSA-N
XLogP0.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135984239
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165483683
5-methyl-3-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135572356
3-methyl-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 155811456
N-(1-cyclopent-1-en-1-yl-5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 639267
N-(1-cyclohex-1-en-1-yl-5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 639268
2-Methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773950
2-Cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 141276237
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane;(3Z,5Z)-4-ethylhepta-1,3,5-triene
CID 167462224
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
CID 167462298
2-iodo-7-pent-4-en-2-yl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 171513603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773955) is 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(CC(C)C)n2n1.
What is the InChIKey of 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is USJKZQBZHQVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)4-8-5-9(15)12-10-11-7(3)13-14(8)10/h5-6H,4H2,1-3H3,(H,11,12,13,15).
What are the key properties of 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 206.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).