2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O — CID 136773956

IUPAC2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C(C)C)n2n1
InChIInChI=1S/C9H12N4O/c1-5(2)7-4-8(14)11-9-10-6(3)12-13(7)9/h4-5H,1-3H3,(H,10,11,12,14)
InChIKeyIBIMLNHICCGMQZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds1

About 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773956) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773956
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C(C)C)n2n1
InChIInChI=1S/C9H12N4O/c1-5(2)7-4-8(14)11-9-10-6(3)12-13(7)9/h4-5H,1-3H3,(H,10,11,12,14)
InChIKeyIBIMLNHICCGMQZ-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
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
7-(Difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165786137
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
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773956) is 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(C(C)C)n2n1.
What is the InChIKey of 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IBIMLNHICCGMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5(2)7-4-8(14)11-9-10-6(3)12-13(7)9/h4-5H,1-3H3,(H,10,11,12,14).
What are the key properties of 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).