cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid

C18H20N4O2 — CID 7873946

IUPACcis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C18H20N4O2/c1-17(2)12(8-9-18(17,3)16(23)24)14-20-15-11-6-4-5-7-13(11)19-10-22(15)21-14/h4-7,10,12H,8-9H2,1-3H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyHVTWIDRZXOVYOX-SGTLLEGYSA-N
MW324.38 g/mol
LogP3.27
Rot. Bonds2

About cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid

cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 7873946) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID7873946
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Namecis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)O
InChIInChI=1S/C18H20N4O2/c1-17(2)12(8-9-18(17,3)16(23)24)14-20-15-11-6-4-5-7-13(11)19-10-22(15)21-14/h4-7,10,12H,8-9H2,1-3H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyHVTWIDRZXOVYOX-SGTLLEGYSA-N
XLogP3.27
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid (CID 7873946) is cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid is CC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)O.
What is the InChIKey of cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HVTWIDRZXOVYOX-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-17(2)12(8-9-18(17,3)16(23)24)14-20-15-11-6-4-5-7-13(11)19-10-22(15)21-14/h4-7,10,12H,8-9H2,1-3H3,(H,23,24)/t12-,18-/m0/s1.
What are the key properties of cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid?
cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 7873946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).