(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol

C14H17N5O — CID 70081241

IUPAC(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
SMILESCCc1nnc2c(C[C@H](O)CN)nc3ccccc3n12
InChIInChI=1S/C14H17N5O/c1-2-13-17-18-14-11(7-9(20)8-15)16-10-5-3-4-6-12(10)19(13)14/h3-6,9,20H,2,7-8,15H2,1H3/t9-/m0/s1
InChIKeyYIURPOLRIOVICM-VIFPVBQESA-N
MW271.32 g/mol
LogP0.70
Rot. Bonds4

About (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol

(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol (PubChem CID 70081241) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
PubChem CID70081241
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
SMILESCCc1nnc2c(C[C@H](O)CN)nc3ccccc3n12
InChIInChI=1S/C14H17N5O/c1-2-13-17-18-14-11(7-9(20)8-15)16-10-5-3-4-6-12(10)19(13)14/h3-6,9,20H,2,7-8,15H2,1H3/t9-/m0/s1
InChIKeyYIURPOLRIOVICM-VIFPVBQESA-N
XLogP0.70
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol with MolForge

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Related Compounds

(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 13133618
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22432448
1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22432522
4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 100969706
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 53028752
7-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385768

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol (CID 70081241) is (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol is CCc1nnc2c(C[C@H](O)CN)nc3ccccc3n12.
What is the InChIKey of (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol?
The InChIKey is YIURPOLRIOVICM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-13-17-18-14-11(7-9(20)8-15)16-10-5-3-4-6-12(10)19(13)14/h3-6,9,20H,2,7-8,15H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol?
(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol is sourced from PubChem (CID 70081241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).