cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C14H17N5O — CID 162648308

IUPACcyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2ccnc3ncnn23)C1
InChIInChI=1S/C14H17N5O/c20-13(10-3-4-10)18-7-1-2-11(8-18)12-5-6-15-14-16-9-17-19(12)14/h5-6,9-11H,1-4,7-8H2/t11-/m0/s1
InChIKeyMZNRWTVOKHTIFF-NSHDSACASA-N
MW271.32 g/mol
LogP1.24
Rot. Bonds2

About cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 162648308) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID162648308
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Namecyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2ccnc3ncnn23)C1
InChIInChI=1S/C14H17N5O/c20-13(10-3-4-10)18-7-1-2-11(8-18)12-5-6-15-14-16-9-17-19(12)14/h5-6,9-11H,1-4,7-8H2/t11-/m0/s1
InChIKeyMZNRWTVOKHTIFF-NSHDSACASA-N
XLogP1.24
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 162648308) is cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@H](c2ccnc3ncnn23)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is MZNRWTVOKHTIFF-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O/c20-13(10-3-4-10)18-7-1-2-11(8-18)12-5-6-15-14-16-9-17-19(12)14/h5-6,9-11H,1-4,7-8H2/t11-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162648308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).