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

C9H13N5O — CID 114455340

IUPAC2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-3-10-5-7-12-9-11-6(2)4-8(15)14(9)13-7/h4,10H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyPGGMSAZAKSFSLA-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.16
Rot. Bonds3

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

2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455340) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455340
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCNCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-3-10-5-7-12-9-11-6(2)4-8(15)14(9)13-7/h4,10H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyPGGMSAZAKSFSLA-UHFFFAOYSA-N
XLogP-0.16
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1382020
2-Ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 6621836
5-(Butylamino)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
CID 166643227
5-methyl-2-[(2,2,2-trifluoroethylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 113587704
2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 170911262
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-Methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 15055408
1-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1H-pyrazol-5-ol
CID 10535056
2-Azidomethyl-5-methyl[1.2.4]-triazolo[1,5-a]pyrimidin-7-ol
CID 19917910
2-(Aminomethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 19917928
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]ethanethioamide
CID 22900969

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455340) is 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCNCc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PGGMSAZAKSFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-10-5-7-12-9-11-6(2)4-8(15)14(9)13-7/h4,10H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 207.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).