4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine

C16H23N5O — CID 146042376

IUPAC4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1nc(-c2ccc(N3CCOCC3)nc2)n(C(C)(C)C)n1
InChIInChI=1S/C16H23N5O/c1-12-18-15(21(19-12)16(2,3)4)13-5-6-14(17-11-13)20-7-9-22-10-8-20/h5-6,11H,7-10H2,1-4H3
InChIKeyRJMWANVVGBVUCU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.24
Rot. Bonds2

About 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine

4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 146042376) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
PubChem CID146042376
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1nc(-c2ccc(N3CCOCC3)nc2)n(C(C)(C)C)n1
InChIInChI=1S/C16H23N5O/c1-12-18-15(21(19-12)16(2,3)4)13-5-6-14(17-11-13)20-7-9-22-10-8-20/h5-6,11H,7-10H2,1-4H3
InChIKeyRJMWANVVGBVUCU-UHFFFAOYSA-N
XLogP2.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
8-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121412657
4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline
CID 67236705
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
4-[5-(2,6-dimethyl-8-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine
CID 67461598

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine (CID 146042376) is 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine is Cc1nc(-c2ccc(N3CCOCC3)nc2)n(C(C)(C)C)n1.
What is the InChIKey of 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is RJMWANVVGBVUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-18-15(21(19-12)16(2,3)4)13-5-6-14(17-11-13)20-7-9-22-10-8-20/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine?
4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 146042376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).