4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine

C17H17ClN4O2 — CID 144588953

IUPAC4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
SMILESClc1ncnn2c([C@H]3CC[C@@H](COCc4ccccc4)O3)cnc12
InChIInChI=1S/C17H17ClN4O2/c18-16-17-19-8-14(22(17)21-11-20-16)15-7-6-13(24-15)10-23-9-12-4-2-1-3-5-12/h1-5,8,11,13,15H,6-7,9-10H2/t13-,15+/m0/s1
InChIKeyMPYNZFREHSJZSU-DZGCQCFKSA-N
MW344.80 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine

4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine (PubChem CID 144588953) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
PubChem CID144588953
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
SMILESClc1ncnn2c([C@H]3CC[C@@H](COCc4ccccc4)O3)cnc12
InChIInChI=1S/C17H17ClN4O2/c18-16-17-19-8-14(22(17)21-11-20-16)15-7-6-13(24-15)10-23-9-12-4-2-1-3-5-12/h1-5,8,11,13,15H,6-7,9-10H2/t13-,15+/m0/s1
InChIKeyMPYNZFREHSJZSU-DZGCQCFKSA-N
XLogP3.21
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 145263724
4-chloro-7-[3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 91333885
7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
CID 155222822
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 142613244
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(3S,4R,5R)-3-fluoro-2-(4-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)cyclopentan-1-one
CID 175724383
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
CID 169187651
2-chloro-7-[(3R,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167132890
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
(2R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 175943674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine (CID 144588953) is 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine is Clc1ncnn2c([C@H]3CC[C@@H](COCc4ccccc4)O3)cnc12.
What is the InChIKey of 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine?
The InChIKey is MPYNZFREHSJZSU-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-16-17-19-8-14(22(17)21-11-20-16)15-7-6-13(24-15)10-23-9-12-4-2-1-3-5-12/h1-5,8,11,13,15H,6-7,9-10H2/t13-,15+/m0/s1.
What are the key properties of 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine?
4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine has a molecular weight of 344.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 144588953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).