N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C14H20N6O — CID 155914199

IUPACN,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCN(C)c1ncccc1-c1nc(N2CCOCC2)n(C)n1
InChIInChI=1S/C14H20N6O/c1-18(2)13-11(5-4-6-15-13)12-16-14(19(3)17-12)20-7-9-21-10-8-20/h4-6H,7-10H2,1-3H3
InChIKeyDHELVWKCBZVIQY-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.78
Rot. Bonds3

About N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine

N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 155914199) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID155914199
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCN(C)c1ncccc1-c1nc(N2CCOCC2)n(C)n1
InChIInChI=1S/C14H20N6O/c1-18(2)13-11(5-4-6-15-13)12-16-14(19(3)17-12)20-7-9-21-10-8-20/h4-6H,7-10H2,1-3H3
InChIKeyDHELVWKCBZVIQY-UHFFFAOYSA-N
XLogP0.78
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 72897554
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 72919049
N,3-dimethyl-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
CID 143449211
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
CID 156651806
4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
CID 170311913
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
1-[2-methyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]piperidine
CID 72873150
4-N,4-N-dimethyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 121204937

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 155914199) is N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CN(C)c1ncccc1-c1nc(N2CCOCC2)n(C)n1.
What is the InChIKey of N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is DHELVWKCBZVIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18(2)13-11(5-4-6-15-13)12-16-14(19(3)17-12)20-7-9-21-10-8-20/h4-6H,7-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 155914199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).