[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C15H24N4O — CID 164642546

IUPAC[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3C[C@@H]3CC(C)C)C2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-9(2)6-12-7-13(12)15(20)19-5-4-11(8-19)14-16-10(3)17-18-14/h9,11-13H,4-8H2,1-3H3,(H,16,17,18)/t11?,12-,13-/m0/s1
InChIKeyYKENOSGHHGGPTB-SPOOISQMSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds4

About [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 164642546) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID164642546
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3C[C@@H]3CC(C)C)C2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-9(2)6-12-7-13(12)15(20)19-5-4-11(8-19)14-16-10(3)17-18-14/h9,11-13H,4-8H2,1-3H3,(H,16,17,18)/t11?,12-,13-/m0/s1
InChIKeyYKENOSGHHGGPTB-SPOOISQMSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 164642546) is [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)[C@H]3C[C@@H]3CC(C)C)C2)n[nH]1.
What is the InChIKey of [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YKENOSGHHGGPTB-SPOOISQMSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9(2)6-12-7-13(12)15(20)19-5-4-11(8-19)14-16-10(3)17-18-14/h9,11-13H,4-8H2,1-3H3,(H,16,17,18)/t11?,12-,13-/m0/s1.
What are the key properties of [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164642546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).