trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate

C18H19N4O2- — CID 7873948

IUPACtrans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate
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)/p-1/t12-,18+/m1/s1
InChIKeyHVTWIDRZXOVYOX-XIKOKIGWSA-M
MW323.38 g/mol
LogP1.94
Rot. Bonds2

About trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate

trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate (PubChem CID 7873948) has the molecular formula C18H19N4O2- and a molecular weight of 323.38 g/mol. Its IUPAC name is trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate
PubChem CID7873948
Molecular FormulaC18H19N4O2-
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Nametrans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate
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)/p-1/t12-,18+/m1/s1
InChIKeyHVTWIDRZXOVYOX-XIKOKIGWSA-M
XLogP1.94
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
CID 7873946
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 142915531
2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 73258191
2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583070
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 75543710
3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 177184374
2-[(2S)-1-(4-nitropyrazol-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 51388483
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17492618
9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 91653372

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate (CID 7873948) is trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate is CC1(C)[C@@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)[O-].
What is the InChIKey of trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate?
The InChIKey is HVTWIDRZXOVYOX-XIKOKIGWSA-M. 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)/p-1/t12-,18+/m1/s1.
What are the key properties of trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate?
trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate has a molecular weight of 323.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7873948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).