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

C12H16N6O — CID 72919049

IUPAC5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1nc(-c2cncc(N)c2)nc1N1CCOCC1
InChIInChI=1S/C12H16N6O/c1-17-12(18-2-4-19-5-3-18)15-11(16-17)9-6-10(13)8-14-7-9/h6-8H,2-5,13H2,1H3
InChIKeyCAIFQBIVVSUDRZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.30
Rot. Bonds2

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

5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 72919049) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID72919049
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1nc(-c2cncc(N)c2)nc1N1CCOCC1
InChIInChI=1S/C12H16N6O/c1-17-12(18-2-4-19-5-3-18)15-11(16-17)9-6-10(13)8-14-7-9/h6-8H,2-5,13H2,1H3
InChIKeyCAIFQBIVVSUDRZ-UHFFFAOYSA-N
XLogP0.30
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 72897554
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
4-(5-methyl-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115375453
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95722396
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 155914199
2-morpholin-4-ylpyridine-3,5-diamine
CID 21082858
5-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyridin-3-ol
CID 104605415
1-[2-methyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]piperidine
CID 72873150
4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 115375403

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 72919049) is 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine is Cn1nc(-c2cncc(N)c2)nc1N1CCOCC1.
What is the InChIKey of 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is CAIFQBIVVSUDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17-12(18-2-4-19-5-3-18)15-11(16-17)9-6-10(13)8-14-7-9/h6-8H,2-5,13H2,1H3.
What are the key properties of 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine?
5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 260.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 72919049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).