4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C11H15N5O — CID 53017021

IUPAC4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nc2ncnn2c(N2CCOCC2)c1C
InChIInChI=1S/C11H15N5O/c1-8-9(2)14-11-12-7-13-16(11)10(8)15-3-5-17-6-4-15/h7H,3-6H2,1-2H3
InChIKeyDBHDKAYEXQSIKF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.58
Rot. Bonds1

About 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 53017021) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID53017021
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nc2ncnn2c(N2CCOCC2)c1C
InChIInChI=1S/C11H15N5O/c1-8-9(2)14-11-12-7-13-16(11)10(8)15-3-5-17-6-4-15/h7H,3-6H2,1-2H3
InChIKeyDBHDKAYEXQSIKF-UHFFFAOYSA-N
XLogP0.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-Morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 654158
9-(2,6-Dimethyl-morpholin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 655833
Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
4-[3-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]morpholine
CID 12666104
4-[2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholine
CID 12671250
2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
CID 12671256
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790905
N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
1-[(1,3-Dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 70710071
1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-3-piperidinol
CID 70781662
1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}pyrrolidine
CID 53017022
(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 32810016

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 53017021) is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1nc2ncnn2c(N2CCOCC2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is DBHDKAYEXQSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-9(2)14-11-12-7-13-16(11)10(8)15-3-5-17-6-4-15/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 233.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 53017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).