2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine

C11H14N4O — CID 139019613

IUPAC2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine
SMILESCOCc1cn([C@H](C)c2ccccn2)nn1
InChIInChI=1S/C11H14N4O/c1-9(11-5-3-4-6-12-11)15-7-10(8-16-2)13-14-15/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyHBIYZPNOCLXLLY-SECBINFHSA-N
MW218.26 g/mol
LogP1.43
Rot. Bonds4

About 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine

2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine (PubChem CID 139019613) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine
PubChem CID139019613
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine
SMILESCOCc1cn([C@H](C)c2ccccn2)nn1
InChIInChI=1S/C11H14N4O/c1-9(11-5-3-4-6-12-11)15-7-10(8-16-2)13-14-15/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyHBIYZPNOCLXLLY-SECBINFHSA-N
XLogP1.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
CID 167746540
2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 167847598
2-[1-[4-[[4-[3-[(sulfinoamino)methyl]phenyl]piperidin-1-yl]methyl]triazol-1-yl]ethyl]pyridine
CID 155092253
1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
CID 134361230
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
ethyl 5-methyl-4-(1-pyridin-2-ylethyl)-1,2,4-triazole-3-carboxylate
CID 83232459
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
CID 167962205

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine (CID 139019613) is 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine is COCc1cn([C@H](C)c2ccccn2)nn1.
What is the InChIKey of 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine?
The InChIKey is HBIYZPNOCLXLLY-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9(11-5-3-4-6-12-11)15-7-10(8-16-2)13-14-15/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine?
2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine has a molecular weight of 218.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 139019613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).