[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone

C17H24N6O — CID 72838310

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)nc2)C[C@H]1N(C)C
InChIInChI=1S/C17H24N6O/c1-12(2)14-8-22(9-15(14)21(3)4)17(24)13-5-6-16(18-7-13)23-10-19-20-11-23/h5-7,10-12,14-15H,8-9H2,1-4H3/t14-,15+/m0/s1
InChIKeyRRWOLPSIIHKYIC-LSDHHAIUSA-N
MW328.42 g/mol
LogP1.32
Rot. Bonds4

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone (PubChem CID 72838310) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
PubChem CID72838310
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)nc2)C[C@H]1N(C)C
InChIInChI=1S/C17H24N6O/c1-12(2)14-8-22(9-15(14)21(3)4)17(24)13-5-6-16(18-7-13)23-10-19-20-11-23/h5-7,10-12,14-15H,8-9H2,1-4H3/t14-,15+/m0/s1
InChIKeyRRWOLPSIIHKYIC-LSDHHAIUSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]benzonitrile
CID 72895460
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72919853
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 72846247
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 156605295
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110108008
7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72840672
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 72936361

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone (CID 72838310) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone is CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)nc2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The InChIKey is RRWOLPSIIHKYIC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)14-8-22(9-15(14)21(3)4)17(24)13-5-6-16(18-7-13)23-10-19-20-11-23/h5-7,10-12,14-15H,8-9H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 72838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).