5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H15N5O — CID 94674777

IUPAC5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(N(C)C)n2c(=O)[nH]nc12
InChIInChI=1S/C10H15N5O/c1-5-7-6(2)11-9(14(3)4)15-8(7)12-13-10(15)16/h5H2,1-4H3,(H,13,16)
InChIKeyALKVALQKUWWEHN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.35
Rot. Bonds2

About 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94674777) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94674777
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(N(C)C)n2c(=O)[nH]nc12
InChIInChI=1S/C10H15N5O/c1-5-7-6(2)11-9(14(3)4)15-8(7)12-13-10(15)16/h5H2,1-4H3,(H,13,16)
InChIKeyALKVALQKUWWEHN-UHFFFAOYSA-N
XLogP0.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076802
5-(3-chlorophenyl)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95923512
5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076853
8-ethyl-1-methyl-6-propyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
CID 13177016
7,8-dipentyl-5-prop-2-enyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 69236150
4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane
CID 19106312
2-(diethylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135698491
6-ethyl-3-iodo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 114514472
7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104553700
6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 6499305
5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 90201097
8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 118655908

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94674777) is 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1c(C)nc(N(C)C)n2c(=O)[nH]nc12.
What is the InChIKey of 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ALKVALQKUWWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-5-7-6(2)11-9(14(3)4)15-8(7)12-13-10(15)16/h5H2,1-4H3,(H,13,16).
What are the key properties of 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94674777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).