3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine

C15H20N4O — CID 95125083

IUPAC3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
SMILESCc1cnccc1-n1nc(C(C)C)nc1[C@@H]1CCCO1
InChIInChI=1S/C15H20N4O/c1-10(2)14-17-15(13-5-4-8-20-13)19(18-14)12-6-7-16-9-11(12)3/h6-7,9-10,13H,4-5,8H2,1-3H3/t13-/m0/s1
InChIKeyKJCMRGCMXULAKT-ZDUSSCGKSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine

3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine (PubChem CID 95125083) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
PubChem CID95125083
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
SMILESCc1cnccc1-n1nc(C(C)C)nc1[C@@H]1CCCO1
InChIInChI=1S/C15H20N4O/c1-10(2)14-17-15(13-5-4-8-20-13)19(18-14)12-6-7-16-9-11(12)3/h6-7,9-10,13H,4-5,8H2,1-3H3/t13-/m0/s1
InChIKeyKJCMRGCMXULAKT-ZDUSSCGKSA-N
XLogP2.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine (CID 95125083) is 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine is Cc1cnccc1-n1nc(C(C)C)nc1[C@@H]1CCCO1.
What is the InChIKey of 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine?
The InChIKey is KJCMRGCMXULAKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)14-17-15(13-5-4-8-20-13)19(18-14)12-6-7-16-9-11(12)3/h6-7,9-10,13H,4-5,8H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine?
3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 95125083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).