(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol

C21H21N5O2 — CID 169150889

IUPAC(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC3c3ccccc3[C@H](C)O)nc21
InChIInChI=1S/C21H21N5O2/c1-11(27)12-6-3-4-7-13(12)15-10-16(15)19-24-20-14-8-5-9-17(28-2)18(14)23-21(22)26(20)25-19/h3-9,11,15-16,27H,10H2,1-2H3,(H2,22,23)/t11-,15?,16?/m0/s1
InChIKeyQKWAWGXLYFCZJO-SOISORPOSA-N
MW375.43 g/mol
LogP3.19
Rot. Bonds4

About (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol

(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol (PubChem CID 169150889) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol
PubChem CID169150889
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC3c3ccccc3[C@H](C)O)nc21
InChIInChI=1S/C21H21N5O2/c1-11(27)12-6-3-4-7-13(12)15-10-16(15)19-24-20-14-8-5-9-17(28-2)18(14)23-21(22)26(20)25-19/h3-9,11,15-16,27H,10H2,1-2H3,(H2,22,23)/t11-,15?,16?/m0/s1
InChIKeyQKWAWGXLYFCZJO-SOISORPOSA-N
XLogP3.19
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol (CID 169150889) is (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol is COc1cccc2c1nc(N)n1nc(C3CC3c3ccccc3[C@H](C)O)nc21.
What is the InChIKey of (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol?
The InChIKey is QKWAWGXLYFCZJO-SOISORPOSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-11(27)12-6-3-4-7-13(12)15-10-16(15)19-24-20-14-8-5-9-17(28-2)18(14)23-21(22)26(20)25-19/h3-9,11,15-16,27H,10H2,1-2H3,(H2,22,23)/t11-,15?,16?/m0/s1.
What are the key properties of (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol?
(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol has a molecular weight of 375.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol is sourced from PubChem (CID 169150889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).