5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H14N6OS — CID 91836050

IUPAC5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1csc(CN(C)Cc2cc(=O)n3[nH]cnc3n2)n1
InChIInChI=1S/C12H14N6OS/c1-8-6-20-10(15-8)5-17(2)4-9-3-11(19)18-12(16-9)13-7-14-18/h3,6-7H,4-5H2,1-2H3,(H,13,14,16)
InChIKeyPNUAMVCSVOJJRQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.81
Rot. Bonds4

About 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 91836050) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID91836050
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1csc(CN(C)Cc2cc(=O)n3[nH]cnc3n2)n1
InChIInChI=1S/C12H14N6OS/c1-8-6-20-10(15-8)5-17(2)4-9-3-11(19)18-12(16-9)13-7-14-18/h3,6-7H,4-5H2,1-2H3,(H,13,14,16)
InChIKeyPNUAMVCSVOJJRQ-UHFFFAOYSA-N
XLogP0.81
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115319265
5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91830601
ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate
CID 62028716
5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287508
bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
CID 10257356
ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62026759
N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 91842152
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79665484
1-[4-[(dimethylamino)methyl]thiophen-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 74243022
5-(butylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 143995597
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 91836050) is 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1csc(CN(C)Cc2cc(=O)n3[nH]cnc3n2)n1.
What is the InChIKey of 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PNUAMVCSVOJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-8-6-20-10(15-8)5-17(2)4-9-3-11(19)18-12(16-9)13-7-14-18/h3,6-7H,4-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 290.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91836050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).