7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H25N5O — CID 164631113

IUPAC7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCO[C@H]1CCN(c2cc(C(C)C)nc3ncnn23)CC1(C)C
InChIInChI=1S/C16H25N5O/c1-11(2)12-8-14(21-15(19-12)17-10-18-21)20-7-6-13(22-5)16(3,4)9-20/h8,10-11,13H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeySOSIOWKYPLZRDY-ZDUSSCGKSA-N
MW303.41 g/mol
LogP2.50
Rot. Bonds3

About 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 164631113) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID164631113
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCO[C@H]1CCN(c2cc(C(C)C)nc3ncnn23)CC1(C)C
InChIInChI=1S/C16H25N5O/c1-11(2)12-8-14(21-15(19-12)17-10-18-21)20-7-6-13(22-5)16(3,4)9-20/h8,10-11,13H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeySOSIOWKYPLZRDY-ZDUSSCGKSA-N
XLogP2.50
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 164631113) is 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CO[C@H]1CCN(c2cc(C(C)C)nc3ncnn23)CC1(C)C.
What is the InChIKey of 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SOSIOWKYPLZRDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11(2)12-8-14(21-15(19-12)17-10-18-21)20-7-6-13(22-5)16(3,4)9-20/h8,10-11,13H,6-7,9H2,1-5H3/t13-/m0/s1.
What are the key properties of 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 303.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 164631113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).