[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

C19H25N5O2 — CID 155508884

IUPAC[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@H](C2CC2)O1
InChIInChI=1S/C19H25N5O2/c1-2-3-4-16-10-23(11-17(26-16)14-5-6-14)19(25)15-7-8-20-18(9-15)24-12-21-22-13-24/h7-9,12-14,16-17H,2-6,10-11H2,1H3/t16-,17-/m1/s1
InChIKeyBKVXPHXOUNCPKC-IAGOWNOFSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds6

About [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (PubChem CID 155508884) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
PubChem CID155508884
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@H](C2CC2)O1
InChIInChI=1S/C19H25N5O2/c1-2-3-4-16-10-23(11-17(26-16)14-5-6-14)19(25)15-7-8-20-18(9-15)24-12-21-22-13-24/h7-9,12-14,16-17H,2-6,10-11H2,1H3/t16-,17-/m1/s1
InChIKeyBKVXPHXOUNCPKC-IAGOWNOFSA-N
XLogP2.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 155505099
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
CID 134712177
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(4-methoxy-2-pyridinyl)methanone
CID 134712136
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide
CID 134699558
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 133111868
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
CID 155508835
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 155910877
1-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 134702820
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95552748

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (CID 155508884) is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is CCCC[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@H](C2CC2)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is BKVXPHXOUNCPKC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-3-4-16-10-23(11-17(26-16)14-5-6-14)19(25)15-7-8-20-18(9-15)24-12-21-22-13-24/h7-9,12-14,16-17H,2-6,10-11H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 155508884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).