ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H19N5O — CID 162521815

IUPACethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC.COc1nc2ncnn2c(N(C)C)c1C
InChIInChI=1S/C9H13N5O.C2H6/c1-6-7(15-4)12-9-10-5-11-14(9)8(6)13(2)3;1-2/h5H,1-4H3;1-2H3
InChIKeyIZWAIZUCKVRIJT-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.53
Rot. Bonds2

About ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162521815) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162521815
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Nameethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC.COc1nc2ncnn2c(N(C)C)c1C
InChIInChI=1S/C9H13N5O.C2H6/c1-6-7(15-4)12-9-10-5-11-14(9)8(6)13(2)3;1-2/h5H,1-4H3;1-2H3
InChIKeyIZWAIZUCKVRIJT-UHFFFAOYSA-N
XLogP1.53
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
3-methoxy-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 596791
4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 21587659
5-Methyl-4-(2,2,4,4,4-pentafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 68718697
5-Methyl-4-(1,2,4-triazol-1-yl)-6-(5,5,5-trifluoropentoxy)pyrimidine
CID 68718763
5-Methyl-4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 70842872
5-Methyl-4-(2,2,3,3-tetrafluoropropoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 87547325
4-(2,2,3,4,4,4-Hexafluorobutoxy)-5-methyl-6-(1,2,4-triazol-1-yl)pyrimidine
CID 87547640
1-Ethyl-4-ethoxypyrazolo[3,4-d]pyrimidine
CID 14188902
5-Chloro-6-methyl-7-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076028
5-fluoro-4-methoxy-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 135109355
4-Methoxy-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 227094

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162521815) is ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC.COc1nc2ncnn2c(N(C)C)c1C.
What is the InChIKey of ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IZWAIZUCKVRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O.C2H6/c1-6-7(15-4)12-9-10-5-11-14(9)8(6)13(2)3;1-2/h5H,1-4H3;1-2H3.
What are the key properties of ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 237.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-N,N,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162521815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).